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

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-isopropyl-amino]-4-oxo-butanoate CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxobutanoate IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxobutanoate Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-isopropyl-amino]-4-keto-butyrate Formula: C14H16ClFNO3- MolecularWeight: 300.733143

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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)/p-1