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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic 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] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O6/c1-12(20(24)21-13-6-7-16-17(10-13)26-11-25-16)27-19(23)9-8-18-22-14-4-2-3-5-15(14)28-18/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)/t12-/m1/s1