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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic 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-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H25N3O7/c1-13(20(27)21-15-3-4-16-17(11-15)29-12-28-16)30-19(26)6-5-18(25)23-9-7-22(8-10-23)14(2)24/h3-4,11,13H,5-10,12H2,1-2H3,(H,21,27)/t13-/m1/s1