2-(1H-indol-3-yl)-3,3-dimethyl-2-(4-methylpyridin-2-yl)carbonyl-butanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3,3-dimethyl-2-(4-methylpyridin-2-yl)carbonyl-butanoic acid Openeye Name: 2-(1H-indol-3-yl)-3,3-dimethyl-2-(4-methylpyridine-2-carbonyl)butanoic acid CAS Name: 2-(1H-indol-3-yl)-3,3-dimethyl-2-[(4-methyl-2-pyridinyl)-oxomethyl]butanoic acid IUPAC Name: 2-(1H-indol-3-yl)-3,3-dimethyl-2-(4-methylpyridine-2-carbonyl)butanoic acid Traditional Name: 2-(1H-indol-3-yl)-3,3-dimethyl-2-(4-methylpicolinoyl)butyric acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)C(C2=CNC3=CC=CC=C32)(C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)C(C2=CNC3=CC=CC=C32)(C(=O)O)C(C)(C)C

InChI

InChI=1S/C21H22N2O3/c1-13-9-10-22-17(11-13)18(24)21(19(25)26,20(2,3)4)15-12-23-16-8-6-5-7-14(15)16/h5-12,23H,1-4H3,(H,25,26)