[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H27NO6/c1-15(2)22(24-21(26)12-16-8-6-5-7-9-16)23(27)30-14-18(25)17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,22H,12,14H2,1-4H3,(H,24,26)/t22-/m0/s1