3-methoxy-4-[[6-[2-(4-methylphenyl)ethanoylamino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[2-(4-methylphenyl)ethanoylamino]indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[[2-(p-tolyl)acetyl]amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[[2-(4-methylphenyl)-1-oxoethyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[[2-(4-methylphenyl)acetyl]amino]indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-[[2-(p-tolyl)acetyl]amino]indol-1-yl]methyl]benzoic acid Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H24N2O4/c1-17-3-5-18(6-4-17)13-25(29)27-22-10-9-19-11-12-28(23(19)15-22)16-21-8-7-20(26(30)31)14-24(21)32-2/h3-12,14-15H,13,16H2,1-2H3,(H,27,29)(H,30,31)