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

Systemtic Name: 2-(2-cyano-3-methyl-butan-2-yl)quinoline-3-carboxylic acid Openeye Name: 2-(1-cyano-1,2-dimethyl-propyl)quinoline-3-carboxylic acid CAS Name: 2-(2-cyano-3-methylbutan-2-yl)-3-quinolinecarboxylic acid IUPAC Name: 2-(2-cyano-3-methylbutan-2-yl)quinoline-3-carboxylic acid Traditional Name: 2-(1-cyano-1,2-dimethyl-propyl)quinoline-3-carboxylic acid Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2/c1-10(2)16(3,9-17)14-12(15(19)20)8-11-6-4-5-7-13(11)18-14/h4-8,10H,1-3H3,(H,19,20)