2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]quinoline-3-carboxylic acid Openeye Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]quinoline-3-carboxylic acid CAS Name: 2-[[(2-cyano-3-methylbutan-2-yl)amino]-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[(2-cyano-3-methylbutan-2-yl)carbamoyl]quinoline-3-carboxylic acid Traditional Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]quinoline-3-carboxylic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C1=NC2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C1=NC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C17H17N3O3/c1-10(2)17(3,9-18)20-15(21)14-12(16(22)23)8-11-6-4-5-7-13(11)19-14/h4-8,10H,1-3H3,(H,20,21)(H,22,23)