6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one CAS Name: 2-(3-benzoylphenyl)propanoic acid; 6-(dimethylamino)-4,4-diphenyl-3-heptanone IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; 6-(dimethylamino)-4,4-diphenylheptan-3-one Traditional Name: 2-(3-benzoylphenyl)propionic acid; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Formula: C37H41NO4 MolecularWeight: 563.72574

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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=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO.C16H14O3/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;1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h6-15,17H,5,16H2,1-4H3;2-11H,1H3,(H,18,19)