2-[2-[carboxymethyl-[2-oxidanylidene-2-[4-[[2-(trifluoromethyloxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethyl-[2-oxidanylidene-2-[4-[[2-(trifluoromethyloxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[carboxymethyl-[2-oxidanylidene-2-[4-[[2-(trifluoromethyloxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethyl-[2-oxidanylidene-2-[4-[[2-(trifluoromethyloxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[carboxymethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]acetic acid CAS Name: 2-[2-[carboxymethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)-9-acridinyl]amino]butylamino]ethyl]amino]ethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)-9-acridinyl]amino]butylamino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[carboxymethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethyl-[2-oxo-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]acetic acid Traditional Name: 2-[2-[carboxymethyl-[2-keto-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]ethyl-[2-keto-2-[4-[[2-(trifluoromethoxy)acridin-9-yl]amino]butylamino]ethyl]amino]acetic acid Formula: C46H48F6N8O8 MolecularWeight: 954.912539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)OC(F)(F)F)NCCCCNC(=O)CN(CCN(CC(=O)NCCCCNC4=C5C=C(C=CC5=NC6=CC=CC=C64)OC(F)(F)F)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)OC(F)(F)F)NCCCCNC(=O)CN(CCN(CC(=O)NCCCCNC4=C5C=C(C=CC5=NC6=CC=CC=C64)OC(F)(F)F)CC(=O)O)CC(=O)O

InChI

InChI=1S/C46H48F6N8O8/c47-45(48,49)67-29-13-15-37-33(23-29)43(31-9-1-3-11-35(31)57-37)55-19-7-5-17-53-39(61)25-59(27-41(63)64)21-22-60(28-42(65)66)26-40(62)54-18-6-8-20-56-44-32-10-2-4-12-36(32)58-38-16-14-30(24-34(38)44)68-46(50,51)52/h1-4,9-16,23-24H,5-8,17-22,25-28H2,(H,53,61)(H,54,62)(H,55,57)(H,56,58)(H,63,64)(H,65,66)