3-methoxy-4-[[1-methyl-5-(2-methylpropylcarbamoyl)indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(2-methylpropylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(isobutylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[(2-methylpropylamino)-oxomethyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(2-methylpropylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(isobutylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C23H26N2O4/c1-14(2)12-24-22(26)16-7-8-20-19(10-16)18(13-25(20)3)9-15-5-6-17(23(27)28)11-21(15)29-4/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,24,26)(H,27,28)