[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-13-8-14(2)10-15(9-13)17(22)23-11-16(21)20-18(12-19)6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3,(H,20,21)