[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)O[C@H](C)C(=O)NC1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6/c1-3-16(27-15-7-5-4-6-8-15)20(23)26-13(2)19(22)21-14-9-10-17-18(11-14)25-12-24-17/h4-11,13,16H,3,12H2,1-2H3,(H,21,22)/t13-,16-/m1/s1