[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H22FNO5/c1-13(2)19(23-20(25)16-6-4-5-7-18(16)27-3)21(26)28-12-17(24)14-8-10-15(22)11-9-14/h4-11,13,19H,12H2,1-3H3,(H,23,25)/t19-/m0/s1