2-[3-(ethylamino)-1-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-(ethylamino)-1-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(ethylamino)-1-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(ethylamino)-1-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(ethylamino)-1-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(ethylamino)-1-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NCC)C2=C(C3=C(C=CC(=C3)C)OC2=C1)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCNC1=C(C(=NCC)C2=C(C3=C(C=CC(=C3)C)OC2=C1)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C26H26N2O3/c1-5-27-20-14-22-24(25(16(20)4)28-6-2)23(17-9-7-8-10-18(17)26(29)30)19-13-15(3)11-12-21(19)31-22/h7-14,27H,5-6H2,1-4H3,(H,29,30)