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

Systemtic Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 1-phenylethanamine Openeye Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxo-butanoic acid; 1-phenylethanamine CAS Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 1-phenylethanamine IUPAC Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 1-phenylethanamine Traditional Name: 3-(3,4-dichlorophenyl)-4-keto-4-methoxy-butyric acid; 1-phenylethylamine Formula: C19H21Cl2NO4 MolecularWeight: 398.28034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2O4.C8H11N/c1-17-11(16)7(5-10(14)15)6-2-3-8(12)9(13)4-6;1-7(9)8-5-3-2-4-6-8/h2-4,7H,5H2,1H3,(H,14,15);2-7H,9H2,1H3