2-[[(2R)-2-cyano-3-methyl-butan-2-yl]carbamoyl]benzoate

Systemtic Name: 2-[[(2R)-2-cyano-3-methyl-butan-2-yl]carbamoyl]benzoate Openeye Name: 2-[[(1R)-1-cyano-1,2-dimethyl-propyl]carbamoyl]benzoate CAS Name: 2-[[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[(2R)-2-cyano-3-methylbutan-2-yl]carbamoyl]benzoate Traditional Name: 2-[[(1R)-1-cyano-1,2-dimethyl-propyl]carbamoyl]benzoate Formula: C14H15N2O3- MolecularWeight: 259.2805

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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)/p-1/t14-/m0/s1