[2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-cyanophenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-cyanophenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-cyanophenyl)-2-oxo-ethyl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-cyanophenyl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-cyanophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [1-(4-cyanophenyl)-2-keto-2-(piperonylamino)ethyl] ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)OC(C2=CC=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)OC(C2=CC=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H22N2O6/c1-31-21-9-4-17(5-10-21)13-24(29)34-25(20-7-2-18(14-27)3-8-20)26(30)28-15-19-6-11-22-23(12-19)33-16-32-22/h2-12,25H,13,15-16H2,1H3,(H,28,30)