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

Systemtic Name: [4-[(Z)-1-[4-(2-acetyloxy-3-pyrrolidin-1-yl-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] cyclopropanecarboxylate Openeye Name: [4-[(Z)-1-[4-(2-acetoxy-3-pyrrolidin-1-yl-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(Z)-1-[4-[2-acetyloxy-3-(1-pyrrolidinyl)propoxy]phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-1-[4-(2-acetyloxy-3-pyrrolidin-1-ylpropoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(Z)-1-[4-(2-acetoxy-3-pyrrolidino-propoxy)phenyl]-2-(1,3-benzodioxol-5-yl)but-1-enyl]phenyl] ester Formula: C36H39NO7 MolecularWeight: 597.69736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCC2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C4CC4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OCC(CN2CCCC2)OC(=O)C)/C3=CC=C(C=C3)OC(=O)C4CC4)/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C36H39NO7/c1-3-32(28-12-17-33-34(20-28)42-23-41-33)35(26-10-15-30(16-11-26)44-36(39)27-6-7-27)25-8-13-29(14-9-25)40-22-31(43-24(2)38)21-37-18-4-5-19-37/h8-17,20,27,31H,3-7,18-19,21-23H2,1-2H3/b35-32-