phenacyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(piperonylamino)pyrrolidino]benzoic acid phenacyl ester Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22N2O7/c30-22(18-4-2-1-3-5-18)15-34-27(33)19-7-9-20(10-8-19)29-25(31)13-21(26(29)32)28-14-17-6-11-23-24(12-17)36-16-35-23/h1-12,21,28H,13-16H2