methyl 3-(2,2-dimethylpropanoylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(2,2-dimethylpropanoylamino)-4-fluoranyl-benzoate Openeye Name: methyl 3-(2,2-dimethylpropanoylamino)-4-fluoro-benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoylamino)-4-fluorobenzoate Traditional Name: 4-fluoro-3-(pivaloylamino)benzoic acid methyl ester Formula: C13H16FNO3 MolecularWeight: 253.269443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO3/c1-13(2,3)12(17)15-10-7-8(11(16)18-4)5-6-9(10)14/h5-7H,1-4H3,(H,15,17)