[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO7/c1-2-26-16-6-3-14(4-7-16)17(23)8-10-21(25)27-12-20(24)22-15-5-9-18-19(11-15)29-13-28-18/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,22,24)