2-[2-methyl-1-(2-methylpropyl)indol-3-yl]carbonylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-methyl-1-(2-methylpropyl)indol-3-yl]carbonylpyridine-3-carboxylic acid Openeye Name: 2-(1-isobutyl-2-methyl-indole-3-carbonyl)pyridine-3-carboxylic acid CAS Name: 2-[[2-methyl-1-(2-methylpropyl)-3-indolyl]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-methyl-1-(2-methylpropyl)indole-3-carbonyl]pyridine-3-carboxylic acid Traditional Name: 2-(1-isobutyl-2-methyl-indole-3-carbonyl)nicotinic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(C)C)C(=O)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(C)C)C(=O)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H20N2O3/c1-12(2)11-22-13(3)17(14-7-4-5-9-16(14)22)19(23)18-15(20(24)25)8-6-10-21-18/h4-10,12H,11H2,1-3H3,(H,24,25)