[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H25NO6/c1-14-4-5-15(2)18(12-14)19(25)7-9-22(26)30-16(3)23(27)24-17-6-8-20-21(13-17)29-11-10-28-20/h4-6,8,12-13,16H,7,9-11H2,1-3H3,(H,24,27)