[4-[(Z)-1-[4-(2-acetyloxy-3-piperidin-1-yl-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(Z)-1-[4-(2-acetyloxy-3-piperidin-1-yl-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-1-[4-[2-acetoxy-3-(1-piperidyl)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-1-[4-[2-acetyloxy-3-(1-piperidinyl)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-1-[4-(2-acetyloxy-3-piperidin-1-ylpropoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-1-[4-(2-acetoxy-3-piperidino-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester Formula: C40H41NO7 MolecularWeight: 647.75604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCCC2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OCC(CN2CCCCC2)OC(=O)C)/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C40H41NO7/c1-3-36(32-16-21-37-38(24-32)46-27-45-37)39(30-14-19-34(20-15-30)48-40(43)31-10-6-4-7-11-31)29-12-17-33(18-13-29)44-26-35(47-28(2)42)25-41-22-8-5-9-23-41/h4,6-7,10-21,24,35H,3,5,8-9,22-23,25-27H2,1-2H3/b39-36-