[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic 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] 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H21NO7/c1-12(23)14-4-6-17(26-3)15(8-14)9-20(24)29-13(2)21(25)22-16-5-7-18-19(10-16)28-11-27-18/h4-8,10,13H,9,11H2,1-3H3,(H,22,25)/t13-/m1/s1