4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-dipyrrolidin-1-ylpropan-2-yloxy)phenyl]but-1-enyl]phenol

Systemtic Name: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-dipyrrolidin-1-ylpropan-2-yloxy)phenyl]but-1-enyl]phenol Openeye Name: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-pyrrolidin-1-yl-1-(pyrrolidin-1-ylmethyl)ethoxy]phenyl]but-1-enyl]phenol CAS Name: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[1,3-bis(1-pyrrolidinyl)propan-2-yloxy]phenyl]but-1-enyl]phenol IUPAC Name: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-dipyrrolidin-1-ylpropan-2-yloxy)phenyl]but-1-enyl]phenol Traditional Name: 4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-pyrrolidino-1-(pyrrolidinomethyl)ethoxy]phenyl]but-1-enyl]phenol Formula: C34H40N2O4 MolecularWeight: 540.6924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OC(CN3CCCC3)CN4CCCC4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OC(CN3CCCC3)CN4CCCC4)/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C34H40N2O4/c1-2-31(27-11-16-32-33(21-27)39-24-38-32)34(25-7-12-28(37)13-8-25)26-9-14-29(15-10-26)40-30(22-35-17-3-4-18-35)23-36-19-5-6-20-36/h7-16,21,30,37H,2-6,17-20,22-24H2,1H3/b34-31-