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

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(diethylamino)-2-oxidanyl-propoxy]phenyl]but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenyl] ester Formula: C37H39NO6 MolecularWeight: 593.70866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN(CC)CC)O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OCC(CN(CC)CC)O)/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C37H39NO6/c1-4-33(29-16-21-34-35(22-29)43-25-42-34)36(26-12-17-31(18-13-26)41-24-30(39)23-38(5-2)6-3)27-14-19-32(20-15-27)44-37(40)28-10-8-7-9-11-28/h7-22,30,39H,4-6,23-25H2,1-3H3/b36-33-