6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-(4-thiophen-2-ylcarbonylphenyl)propanoic acid Openeye Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone; 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one; 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid Traditional Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[4-(2-thenoyl)phenyl]propionic acid Formula: C35H39NO4S MolecularWeight: 569.75346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O

Isomeric SMILES

CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C21H27NO.C14H12O3S/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h6-15,17H,5,16H2,1-4H3;2-9H,1H3,(H,16,17)