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

Systemtic Name: 4-[[6-[2-(4-chlorophenyl)ethanoylamino]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-[[2-(4-chlorophenyl)acetyl]amino]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[[2-(4-chlorophenyl)acetyl]amino]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[[2-(4-chlorophenyl)acetyl]amino]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c1-32-23-13-18(25(30)31)4-5-19(23)15-28-11-10-17-6-9-21(14-22(17)28)27-24(29)12-16-2-7-20(26)8-3-16/h2-11,13-14H,12,15H2,1H3,(H,27,29)(H,30,31)