3-[3-[2,4-bis(oxidanyl)phenyl]propylamino]-4-[2-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[3-[2,4-bis(oxidanyl)phenyl]propylamino]-4-[2-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-(2,4-dihydroxyphenyl)propylamino]-4-[2-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 3-[3-(2,4-dihydroxyphenyl)propylamino]-4-[2-[(1-methoxy-1-oxopropan-2-yl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 3-[3-(2,4-dihydroxyphenyl)propylamino]-4-[2-[(1-methoxy-1-oxopropan-2-yl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 3-[3-(2,4-dihydroxyphenyl)propylamino]-4-keto-4-[2-[(2-keto-2-methoxy-1-methyl-ethyl)amino]phenyl]butyric acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=CC=CC=C1C(=O)C(CC(=O)O)NCCCC2=C(C=C(C=C2)O)O

Isomeric SMILES

CC(C(=O)OC)NC1=CC=CC=C1C(=O)C(CC(=O)O)NCCCC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C23H28N2O7/c1-14(23(31)32-2)25-18-8-4-3-7-17(18)22(30)19(13-21(28)29)24-11-5-6-15-9-10-16(26)12-20(15)27/h3-4,7-10,12,14,19,24-27H,5-6,11,13H2,1-2H3,(H,28,29)