4-[(Z)-1-cyano-2-(2-methoxy-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-1-cyano-2-(2-methoxy-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-1-cyano-2-[2-methoxy-4-(1-piperidyl)phenyl]vinyl]benzoic acid CAS Name: 4-[(Z)-1-cyano-2-[2-methoxy-4-(1-piperidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(Z)-1-cyano-2-(2-methoxy-4-piperidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-1-cyano-2-(2-methoxy-4-piperidino-phenyl)vinyl]benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCCC2)/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O3/c1-27-21-14-20(24-11-3-2-4-12-24)10-9-18(21)13-19(15-23)16-5-7-17(8-6-16)22(25)26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26)/b19-13+