[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3/c1-13(22-16(21)14-8-4-2-5-9-14)15(20)19-17(12-18)10-6-3-7-11-17/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,19,20)