[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic 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] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCCOC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCCOC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H23NO7/c1-14(24)16-5-8-18(9-6-16)27-11-3-4-21(25)30-15(2)22(26)23-17-7-10-19-20(12-17)29-13-28-19/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,26)/t15-/m1/s1