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

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C22H24FNO5 MolecularWeight: 401.428063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C22H24FNO5/c1-4-28-19-11-6-5-10-17(19)21(26)24-20(14(2)3)22(27)29-13-18(25)15-8-7-9-16(23)12-15/h5-12,14,20H,4,13H2,1-3H3,(H,24,26)/t20-/m0/s1