[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H23NO7/c1-14(2)21(23-20(25)12-27-16-6-4-3-5-7-16)22(26)28-11-17(24)15-8-9-18-19(10-15)30-13-29-18/h3-10,14,21H,11-13H2,1-2H3,(H,23,25)/t21-/m0/s1