3-(3,4-dichlorophenyl)propanoic acid; 1-phenylethanamine

Systemtic Name: 3-(3,4-dichlorophenyl)propanoic acid; 1-phenylethanamine Openeye Name: 3-(3,4-dichlorophenyl)propanoic acid; 1-phenylethanamine CAS Name: 3-(3,4-dichlorophenyl)propanoic acid; 1-phenylethanamine IUPAC Name: 3-(3,4-dichlorophenyl)propanoic acid; 1-phenylethanamine Traditional Name: 3-(3,4-dichlorophenyl)propionic acid; 1-phenylethylamine Formula: C17H19Cl2NO2 MolecularWeight: 340.24426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1=CC(=C(C=C1CCC(=O)O)Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N.C1=CC(=C(C=C1CCC(=O)O)Cl)Cl

InChI

InChI=1S/C9H8Cl2O2.C8H11N/c10-7-3-1-6(5-8(7)11)2-4-9(12)13;1-7(9)8-5-3-2-4-6-8/h1,3,5H,2,4H2,(H,12,13);2-7H,9H2,1H3