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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-21(18(13-20)8-3-2-4-9-18)16(22)12-24-17(23)15-7-5-6-14(10-15)11-19/h5-7,10H,2-4,8-9,12H2,1H3