methyl 4-fluoranyl-3-(3-methylbutanoylamino)benzoate

Systemtic Name: methyl 4-fluoranyl-3-(3-methylbutanoylamino)benzoate Openeye Name: methyl 4-fluoro-3-(3-methylbutanoylamino)benzoate CAS Name: 4-fluoro-3-[(3-methyl-1-oxobutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(3-methylbutanoylamino)benzoate Traditional Name: 4-fluoro-3-(isovalerylamino)benzoic acid methyl ester Formula: C13H16FNO3 MolecularWeight: 253.269443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO3/c1-8(2)6-12(16)15-11-7-9(13(17)18-3)4-5-10(11)14/h4-5,7-8H,6H2,1-3H3,(H,15,16)