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

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]but-1-enyl]phenyl] benzoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]but-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]but-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]but-1-enyl]phenyl] ester Formula: C36H37NO6 MolecularWeight: 579.68208

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H37NO6/c1-4-32(28-14-19-33-34(20-28)42-23-41-33)35(25-10-15-30(16-11-25)40-22-29(38)21-37-24(2)3)26-12-17-31(18-13-26)43-36(39)27-8-6-5-7-9-27/h5-20,24,29,37-38H,4,21-23H2,1-3H3/b35-32-