6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone; 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one; 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid Formula: C36H42N2O4 MolecularWeight: 566.72968

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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.CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O

Isomeric SMILES

CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O

InChI

InChI=1S/C21H27NO.C15H15NO3/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;1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h6-15,17H,5,16H2,1-4H3;3-8H,9H2,1-2H3,(H,17,18)