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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO6/c1-15(2)20(23-22(26)29-13-16-7-5-4-6-8-16)21(25)28-14-19(24)17-9-11-18(27-3)12-10-17/h4-12,15,20H,13-14H2,1-3H3,(H,23,26)/t20-/m0/s1