[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H18N2O3/c1-12-5-4-6-13(9-12)15(20)21-10-14(19)18-16(11-17)7-2-3-8-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,19)