[4-[(E)-1-[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-1-[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-1-[4-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-1-[4-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-2-phenylbut-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-2-phenylbut-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-1-[4-(2-hydroxy-3-piperidino-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] ester Formula: C37H39NO4 MolecularWeight: 561.70986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCCC2)O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCC(CN2CCCCC2)O)\C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)/C5=CC=CC=C5

InChI

InChI=1S/C37H39NO4/c1-2-35(28-12-6-3-7-13-28)36(30-18-22-34(23-19-30)42-37(40)31-14-8-4-9-15-31)29-16-20-33(21-17-29)41-27-32(39)26-38-24-10-5-11-25-38/h3-4,6-9,12-23,32,39H,2,5,10-11,24-27H2,1H3/b36-35+