[(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [(1S)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO4 MolecularWeight: 359.391383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)O[C@@H](C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C20H22FNO4/c1-14-6-3-9-18(12-14)25-11-5-10-19(23)26-15(2)20(24)22-17-8-4-7-16(21)13-17/h3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,22,24)/t15-/m0/s1