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

Systemtic Name: (3S)-5-[(5-chloranyl-2-fluoranyl-phenyl)amino]-3-ethyl-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(5-chloro-2-fluoro-anilino)-3-ethyl-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(5-chloro-2-fluoroanilino)-3-ethyl-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(5-chloro-2-fluoroanilino)-3-ethyl-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(5-chloro-2-fluoro-anilino)-3-ethyl-5-keto-3-methyl-valeric acid Formula: C14H17ClFNO3 MolecularWeight: 301.741083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@](C)(CC(=O)NC1=C(C=CC(=C1)Cl)F)CC(=O)O

InChI

InChI=1S/C14H17ClFNO3/c1-3-14(2,8-13(19)20)7-12(18)17-11-6-9(15)4-5-10(11)16/h4-6H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1