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

Systemtic Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 1-(4-methylphenyl)ethanamine Openeye Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxo-butanoic acid; 1-(p-tolyl)ethanamine CAS Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 1-(4-methylphenyl)ethanamine IUPAC Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 1-(4-methylphenyl)ethanamine Traditional Name: 3-(3,4-dichlorophenyl)-4-keto-4-methoxy-butyric acid; 1-(p-tolyl)ethylamine Formula: C20H23Cl2NO4 MolecularWeight: 412.30692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2O4.C9H13N/c1-17-11(16)7(5-10(14)15)6-2-3-8(12)9(13)4-6;1-7-3-5-9(6-4-7)8(2)10/h2-4,7H,5H2,1H3,(H,14,15);3-6,8H,10H2,1-2H3