4-[4-(3-acetyloxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid

Systemtic Name: 4-[4-(3-acetyloxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Openeye Name: 4-[4-(3-acetoxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid CAS Name: 4-[4-(3-acetyloxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid IUPAC Name: 4-[4-(3-acetyloxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Traditional Name: 4-[4-(3-acetoxypropoxy)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Formula: C32H39NO5 MolecularWeight: 517.65576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCOC(=O)C)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCOC(=O)C)C(C)(C)C

InChI

InChI=1S/C32H39NO5/c1-7-33(8-2)29-16-14-26(21-28(29)32(4,5)6)27-20-25(23-10-12-24(13-11-23)31(35)36)15-17-30(27)38-19-9-18-37-22(3)34/h10-17,20-21H,7-9,18-19H2,1-6H3,(H,35,36)