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

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-bis(dimethylamino)propan-2-yloxy]phenyl]but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-(dimethylamino)-1-(dimethylaminomethyl)ethoxy]phenyl]but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-bis(dimethylamino)propan-2-yloxy]phenyl]but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-bis(dimethylamino)propan-2-yloxy]phenyl]but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-(dimethylamino)-1-(dimethylaminomethyl)ethoxy]phenyl]but-1-enyl]phenyl] ester Formula: C37H40N2O5 MolecularWeight: 592.7239

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H40N2O5/c1-6-33(29-16-21-34-35(22-29)42-25-41-34)36(26-12-17-30(18-13-26)43-32(23-38(2)3)24-39(4)5)27-14-19-31(20-15-27)44-37(40)28-10-8-7-9-11-28/h7-22,32H,6,23-25H2,1-5H3/b36-33-