(3S)-5-[(4-chloranyl-2-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[(4-chloranyl-2-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(4-chloro-2-methyl-anilino)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(4-chloro-2-methylanilino)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(4-chloro-2-methylanilino)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(4-chloro-2-methyl-anilino)-5-keto-3-methyl-valeric acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)CC(C)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C[C@H](C)CC(=O)O

InChI

InChI=1S/C13H16ClNO3/c1-8(6-13(17)18)5-12(16)15-11-4-3-10(14)7-9(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)/t8-/m0/s1