[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H20N2O3/c18-10-14-7-4-8-15(9-14)17(21)22-12-16(20)19-11-13-5-2-1-3-6-13/h4,7-9,13H,1-3,5-6,11-12H2,(H,19,20)