[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c18-10-13-6-8-15(9-7-13)17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h6-9,14H,1-5,11-12H2,(H,19,20)