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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)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-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO6/c1-3-4-16-5-7-17(8-6-16)19(25)10-12-22(26)30-15(2)23(27)24-18-9-11-20-21(13-18)29-14-28-20/h5-9,11,13,15H,3-4,10,12,14H2,1-2H3,(H,24,27)/t15-/m1/s1