3-[(E)-4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-pyridin-3-yl-but-1-enyl]benzoic acid

Systemtic Name: 3-[(E)-4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-pyridin-3-yl-but-1-enyl]benzoic acid Openeye Name: 3-[(E)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(3-pyridyl)but-1-enyl]benzoic acid CAS Name: 3-[(E)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(3-pyridinyl)but-1-enyl]benzoic acid IUPAC Name: 3-[(E)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-pyridin-3-ylbut-1-enyl]benzoic acid Traditional Name: 3-[(E)-4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(3-pyridyl)but-1-enyl]benzoic acid Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC=C(C3=CC(=CC=C3)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC/C=C(\C3=CC(=CC=C3)C(=O)O)/C4=CN=CC=C4

InChI

InChI=1S/C27H27ClN2O3/c28-24-10-8-23(9-11-24)27(33)12-16-30(17-13-27)15-3-7-25(22-6-2-14-29-19-22)20-4-1-5-21(18-20)26(31)32/h1-2,4-11,14,18-19,33H,3,12-13,15-17H2,(H,31,32)/b25-7+