4-[(E)-1-cyano-2-(2-methyl-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(2-methyl-4-piperidin-1-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-[2-methyl-4-(1-piperidyl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[2-methyl-4-(1-piperidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(2-methyl-4-piperidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(2-methyl-4-piperidino-phenyl)vinyl]benzoic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCC2)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCC2)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O2/c1-16-13-21(24-11-3-2-4-12-24)10-9-19(16)14-20(15-23)17-5-7-18(8-6-17)22(25)26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26)/b20-14-