3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 2-(4-methylphenyl)-1-phenyl-ethanamine

Systemtic Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 2-(4-methylphenyl)-1-phenyl-ethanamine Openeye Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxo-butanoic acid; 1-phenyl-2-(p-tolyl)ethanamine CAS Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 2-(4-methylphenyl)-1-phenylethanamine IUPAC Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 2-(4-methylphenyl)-1-phenylethanamine Traditional Name: 3-(3,4-dichlorophenyl)-4-keto-4-methoxy-butyric acid; [1-phenyl-2-(p-tolyl)ethyl]amine Formula: C26H27Cl2NO4 MolecularWeight: 488.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N.COC(=O)C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N.COC(=O)C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H17N.C11H10Cl2O4/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-17-11(16)7(5-10(14)15)6-2-3-8(12)9(13)4-6/h2-10,15H,11,16H2,1H3;2-4,7H,5H2,1H3,(H,14,15)