2-(4-chlorophenyl)-3-methyl-butanoic acid; 2-phenylethanamide

Systemtic Name: 2-(4-chlorophenyl)-3-methyl-butanoic acid; 2-phenylethanamide Openeye Name: 2-(4-chlorophenyl)-3-methyl-butanoic acid; 2-phenylacetamide CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid; 2-phenylacetamide IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid; 2-phenylacetamide Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid; 2-phenylacetamide Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClO2.C8H9NO/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8;9-8(10)6-7-4-2-1-3-5-7/h3-7,10H,1-2H3,(H,13,14);1-5H,6H2,(H2,9,10)