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

Systemtic Name: 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(isobutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-[(2-methylpropylamino)-oxomethyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-(isobutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H24N2O4/c1-14(2)12-23-21(25)16-6-7-19-15(10-16)8-9-24(19)13-18-5-4-17(22(26)27)11-20(18)28-3/h4-11,14H,12-13H2,1-3H3,(H,23,25)(H,26,27)