[4-[(E)-1-[4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-1-[4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-1-[4-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]phenyl]-2-phenylbut-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]-2-phenylbut-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidino-propoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] ester Formula: C36H37NO4 MolecularWeight: 547.68328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCC2)O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCC(CN2CCCC2)O)\C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)/C5=CC=CC=C5

InChI

InChI=1S/C36H37NO4/c1-2-34(27-11-5-3-6-12-27)35(29-17-21-33(22-18-29)41-36(39)30-13-7-4-8-14-30)28-15-19-32(20-16-28)40-26-31(38)25-37-23-9-10-24-37/h3-8,11-22,31,38H,2,9-10,23-26H2,1H3/b35-34+