[1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate

Systemtic Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate Openeye Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-oxoethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [1-(4-cyanophenyl)-2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OC(C2=CC=C(C=C2)C#N)C(=O)NC3CC3

Isomeric SMILES

C1CCC(CC1)CCC(=O)OC(C2=CC=C(C=C2)C#N)C(=O)NC3CC3

InChI

InChI=1S/C21H26N2O3/c22-14-16-6-9-17(10-7-16)20(21(25)23-18-11-12-18)26-19(24)13-8-15-4-2-1-3-5-15/h6-7,9-10,15,18,20H,1-5,8,11-13H2,(H,23,25)