5-[(3-fluorophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-fluorophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-fluoroanilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(3-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3-fluoroanilino)-5-keto-3,3-dimethyl-valeric acid Formula: C13H16FNO3 MolecularWeight: 253.269443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO3/c1-13(2,8-12(17)18)7-11(16)15-10-5-3-4-9(14)6-10/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)