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

Systemtic Name: [4-[(E)-1-[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-1-[4-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-1-[4-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] ester Formula: C34H35NO4 MolecularWeight: 521.646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H35NO4/c1-4-32(25-11-7-5-8-12-25)33(26-15-19-30(20-16-26)38-24-29(36)23-35(2)3)27-17-21-31(22-18-27)39-34(37)28-13-9-6-10-14-28/h5-22,29,36H,4,23-24H2,1-3H3/b33-32+