methyl 2-[4-fluoranyl-3-(3-methylbutanoylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-fluoranyl-3-(3-methylbutanoylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-fluoro-3-(3-methylbutanoylamino)phenyl]acetate CAS Name: 2-[4-fluoro-3-[(3-methyl-1-oxobutyl)amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-3-(3-methylbutanoylamino)phenyl]acetate Traditional Name: 2-[4-fluoro-3-(isovalerylamino)phenyl]acetic acid methyl ester Formula: C14H18FNO3 MolecularWeight: 267.296023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO3/c1-9(2)6-13(17)16-12-7-10(4-5-11(12)15)8-14(18)19-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,17)