[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=CC=C1)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=CC=C1)C2(CCCCC2)C#N

InChI

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