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

Systemtic Name: 4-[[6-[2-(3,4-dimethoxyphenyl)ethanoylamino]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(homoveratroylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)C=CN3CC4=C(C=C(C=C4)C(=O)O)OC)OC

InChI

InChI=1S/C27H26N2O6/c1-33-23-9-4-17(12-25(23)35-3)13-26(30)28-21-8-7-18-10-11-29(22(18)15-21)16-20-6-5-19(27(31)32)14-24(20)34-2/h4-12,14-15H,13,16H2,1-3H3,(H,28,30)(H,31,32)