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

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[(2-methylpentylamino)-oxomethyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-5-6-16(2)14-26-24(28)18-9-10-22-21(12-18)20(15-27(22)3)11-17-7-8-19(25(29)30)13-23(17)31-4/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3,(H,26,28)(H,29,30)