[4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid

Systemtic Name: [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid Openeye Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid CAS Name: 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid Traditional Name: propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester; 2-[4-(2-thenoyl)phenyl]propionic acid Formula: C36H41NO5S MolecularWeight: 599.77944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O

Isomeric SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C22H29NO2.C14H12O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h6-15,18H,5,16-17H2,1-4H3;2-9H,1H3,(H,16,17)