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

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(3-methylbutylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(isopentylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[(3-methylbutylamino)-oxomethyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(3-methylbutylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(isoamylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-15(2)9-10-25-23(27)17-7-8-21-20(12-17)19(14-26(21)3)11-16-5-6-18(24(28)29)13-22(16)30-4/h5-8,12-15H,9-11H2,1-4H3,(H,25,27)(H,28,29)