3-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]propanoic acid

Systemtic Name: 3-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]propanoic acid Openeye Name: 3-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)propanoic acid CAS Name: 3-(N-[(4-chlorophenyl)-oxomethyl]-2,6-dimethylanilino)propanoic acid IUPAC Name: 3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid Traditional Name: 3-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)propionic acid Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3/c1-12-4-3-5-13(2)17(12)20(11-10-16(21)22)18(23)14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,22)