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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C22H23NO6/c1-13-4-5-16(10-14(13)2)18(24)7-9-21(25)29-15(3)22(26)23-17-6-8-19-20(11-17)28-12-27-19/h4-6,8,10-11,15H,7,9,12H2,1-3H3,(H,23,26)/t15-/m1/s1