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

Systemtic Name: 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2,2-dimethylpropylamino)-oxomethyl]-1-methyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(2,2-dimethylpropylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-(neopentylcarbamoyl)indol-3-yl]methyl]benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H28N2O4/c1-24(2,3)14-25-22(27)16-8-9-20-19(11-16)18(13-26(20)4)10-15-6-7-17(23(28)29)12-21(15)30-5/h6-9,11-13H,10,14H2,1-5H3,(H,25,27)(H,28,29)