5-[(4-chlorophenyl)-methyl-amino]-4-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-chlorophenyl)-methyl-amino]-4-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chloro-N-methyl-anilino)-4-methyl-5-oxo-pentanoic acid CAS Name: 5-(4-chloro-N-methylanilino)-4-methyl-5-oxopentanoic acid IUPAC Name: 5-(4-chloro-N-methylanilino)-4-methyl-5-oxopentanoic acid Traditional Name: 5-(4-chloro-N-methyl-anilino)-5-keto-4-methyl-valeric acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-9(3-8-12(16)17)13(18)15(2)11-6-4-10(14)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)