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

Systemtic Name: [4-[(E)-1-[4-[3-(diethylamino)-2-oxidanyl-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-1-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-1-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-1-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-1-[4-[3-(diethylamino)-2-hydroxy-propoxy]phenyl]-2-phenyl-but-1-enyl]phenyl] ester Formula: C36H39NO4 MolecularWeight: 549.69916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H39NO4/c1-4-34(27-13-9-7-10-14-27)35(28-17-21-32(22-18-28)40-26-31(38)25-37(5-2)6-3)29-19-23-33(24-20-29)41-36(39)30-15-11-8-12-16-30/h7-24,31,38H,4-6,25-26H2,1-3H3/b35-34+