(3-cyano-4-oxidanylidene-4-piperidin-1-yl-butyl) benzoate

Systemtic Name: (3-cyano-4-oxidanylidene-4-piperidin-1-yl-butyl) benzoate Openeye Name: [3-cyano-4-oxo-4-(1-piperidyl)butyl] benzoate CAS Name: benzoic acid [3-cyano-4-oxo-4-(1-piperidinyl)butyl] ester IUPAC Name: (3-cyano-4-oxo-4-piperidin-1-ylbutyl) benzoate Traditional Name: benzoic acid (3-cyano-4-keto-4-piperidino-butyl) ester Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCOC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(CCOC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H20N2O3/c18-13-15(16(20)19-10-5-2-6-11-19)9-12-22-17(21)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-12H2