4-(3-acetamido-4-phenyl-phenyl)-2-chloranyl-butanoic acid

Systemtic Name: 4-(3-acetamido-4-phenyl-phenyl)-2-chloranyl-butanoic acid Openeye Name: 4-(3-acetamido-4-phenyl-phenyl)-2-chloro-butanoic acid CAS Name: 4-(3-acetamido-4-phenylphenyl)-2-chlorobutanoic acid IUPAC Name: 4-(3-acetamido-4-phenylphenyl)-2-chlorobutanoic acid Traditional Name: 4-(3-acetamido-4-phenyl-phenyl)-2-chloro-butyric acid Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)CCC(C(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CCC(C(=O)O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO3/c1-12(21)20-17-11-13(8-10-16(19)18(22)23)7-9-15(17)14-5-3-2-4-6-14/h2-7,9,11,16H,8,10H2,1H3,(H,20,21)(H,22,23)