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

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-oxidanyl-propoxy]phenyl]but-1-enyl]phenyl] cyclopropanecarboxylate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenyl] ester Formula: C37H43NO6 MolecularWeight: 597.74042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CNCC2CCCCC2)O)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(CNCC2CCCCC2)O)/C3=CC=C(C=C3)OC(=O)C4CC4)/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C37H43NO6/c1-2-33(29-14-19-34-35(20-29)43-24-42-34)36(27-12-17-32(18-13-27)44-37(40)28-8-9-28)26-10-15-31(16-11-26)41-23-30(39)22-38-21-25-6-4-3-5-7-25/h10-20,25,28,30,38-39H,2-9,21-24H2,1H3/b36-33-