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

Systemtic Name: 3-(3,4-dichlorophenyl)-4-ethoxy-4-oxidanylidene-butanoic acid; 1-phenylethanamine Openeye Name: 3-(3,4-dichlorophenyl)-4-ethoxy-4-oxo-butanoic acid; 1-phenylethanamine CAS Name: 3-(3,4-dichlorophenyl)-4-ethoxy-4-oxobutanoic acid; 1-phenylethanamine IUPAC Name: 3-(3,4-dichlorophenyl)-4-ethoxy-4-oxobutanoic acid; 1-phenylethanamine Traditional Name: 3-(3,4-dichlorophenyl)-4-ethoxy-4-keto-butyric acid; 1-phenylethylamine Formula: C20H23Cl2NO4 MolecularWeight: 412.30692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2O4.C8H11N/c1-2-18-12(17)8(6-11(15)16)7-3-4-9(13)10(14)5-7;1-7(9)8-5-3-2-4-6-8/h3-5,8H,2,6H2,1H3,(H,15,16);2-7H,9H2,1H3