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

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-(3-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(=CC=C1)F)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

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