4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-isopropyl-amino]-4-oxo-butanoic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-isopropyl-amino]-4-keto-butyric acid Formula: C14H17ClFNO3 MolecularWeight: 301.741083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)N(CC1=C(C=CC=C1Cl)F)C(=O)CCC(=O)O

InChI

InChI=1S/C14H17ClFNO3/c1-9(2)17(13(18)6-7-14(19)20)8-10-11(15)4-3-5-12(10)16/h3-5,9H,6-8H2,1-2H3,(H,19,20)