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

Systemtic Name: 2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[[(2-cyano-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-cyano-3-methylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]benzoic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-9(2)14(3,8-15)16-12(17)10-6-4-5-7-11(10)13(18)19/h4-7,9H,1-3H3,(H,16,17)(H,18,19)