ethyl 4-[1-azanyl-3-cyano-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-azanyl-3-cyano-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoate Openeye Name: ethyl 4-[1-carbamoyl-2-cyano-2-[2-(1-piperidyl)phenyl]ethyl]benzoate CAS Name: 4-[1-amino-3-cyano-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-3-cyano-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoate Traditional Name: 4-[1-carbamoyl-2-cyano-2-(2-piperidinophenyl)ethyl]benzoic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C(C#N)C2=CC=CC=C2N3CCCCC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C(C#N)C2=CC=CC=C2N3CCCCC3)C(=O)N

InChI

InChI=1S/C24H27N3O3/c1-2-30-24(29)18-12-10-17(11-13-18)22(23(26)28)20(16-25)19-8-4-5-9-21(19)27-14-6-3-7-15-27/h4-5,8-13,20,22H,2-3,6-7,14-15H2,1H3,(H2,26,28)