6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-oxidanyl-2-phenyl-ethanoic acid; hydrochloride

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-oxidanyl-2-phenyl-ethanoic acid; hydrochloride Openeye Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-hydroxy-2-phenyl-acetic acid; hydrochloride CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone; 2-hydroxy-2-phenylacetic acid; hydrochloride IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one; 2-hydroxy-2-phenylacetic acid; hydrochloride Traditional Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; madelic acid; hydrochloride Formula: C29H36ClNO4 MolecularWeight: 498.05344

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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.C1=CC=C(C=C1)C(C(=O)O)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO.C8H8O3.ClH/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;9-7(8(10)11)6-4-2-1-3-5-6;/h6-15,17H,5,16H2,1-4H3;1-5,7,9H,(H,10,11);1H