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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H20N2O3/c1-13-6-5-7-14(10-13)16(21)22-11-15(20)19-17(12-18)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)