[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3/c1-15(2)21(3,14-22)23-19(24)13-26-20(25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3,(H,23,24)