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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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