2-[butyl-(4-chlorophenyl)amino]propanoic acid

Systemtic Name: 2-[butyl-(4-chlorophenyl)amino]propanoic acid Openeye Name: 2-(N-butyl-4-chloro-anilino)propanoic acid CAS Name: 2-(N-butyl-4-chloroanilino)propanoic acid IUPAC Name: 2-(N-butyl-4-chloroanilino)propanoic acid Traditional Name: 2-(N-butyl-4-chloro-anilino)propionic acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)Cl)C(C)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)Cl)C(C)C(=O)O

InChI

InChI=1S/C13H18ClNO2/c1-3-4-9-15(10(2)13(16)17)12-7-5-11(14)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)