[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO7/c1-3-28-18-7-5-17(6-8-18)19(25)9-11-22(26)31-15(2)23(27)24-13-16-4-10-20-21(12-16)30-14-29-20/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3,(H,24,27)