3-methoxy-4-[[6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-[2-(benzylamino)-2-oxo-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-[2-(benzylamino)-2-oxoethyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[2-(benzylamino)-2-keto-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4/c1-32-24-15-21(26(30)31)9-10-22(24)17-28-12-11-20-8-7-19(13-23(20)28)14-25(29)27-16-18-5-3-2-4-6-18/h2-13,15H,14,16-17H2,1H3,(H,27,29)(H,30,31)