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

Systemtic Name: [4-[(Z)-1-[4-[2-acetyloxy-3-(cyclohexylmethylamino)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-1-[4-[2-acetoxy-3-(cyclohexylmethylamino)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-1-[4-[2-acetyloxy-3-(cyclohexylmethylamino)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-1-[4-[2-acetyloxy-3-(cyclohexylmethylamino)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-1-[4-[2-acetoxy-3-(cyclohexylmethylamino)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester Formula: C42H45NO7 MolecularWeight: 675.8092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CNCC2CCCCC2)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(CNCC2CCCCC2)OC(=O)C)/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C42H45NO7/c1-3-38(34-18-23-39-40(24-34)48-28-47-39)41(32-16-21-36(22-17-32)50-42(45)33-12-8-5-9-13-33)31-14-19-35(20-15-31)46-27-37(49-29(2)44)26-43-25-30-10-6-4-7-11-30/h5,8-9,12-24,30,37,43H,3-4,6-7,10-11,25-28H2,1-2H3/b41-38-