[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-di(piperidin-1-yl)propan-2-yloxy]phenyl]but-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-di(piperidin-1-yl)propan-2-yloxy]phenyl]but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-(1-piperidyl)-1-(1-piperidylmethyl)ethoxy]phenyl]but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-bis(1-piperidinyl)propan-2-yloxy]phenyl]but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-di(piperidin-1-yl)propan-2-yloxy]phenyl]but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-piperidino-1-(piperidinomethyl)ethoxy]phenyl]but-1-enyl]phenyl] ester Formula: C43H48N2O5 MolecularWeight: 672.85162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OC(CN2CCCCC2)CN3CCCCC3)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OC(CN2CCCCC2)CN3CCCCC3)/C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)/C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C43H48N2O5/c1-2-39(35-18-23-40-41(28-35)48-31-47-40)42(33-16-21-37(22-17-33)50-43(46)34-12-6-3-7-13-34)32-14-19-36(20-15-32)49-38(29-44-24-8-4-9-25-44)30-45-26-10-5-11-27-45/h3,6-7,12-23,28,38H,2,4-5,8-11,24-27,29-31H2,1H3/b42-39-