[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6/c24-19(22-16-7-8-17-18(10-16)29-13-28-17)12-27-21(26)15-5-3-14(4-6-15)11-23-9-1-2-20(23)25/h3-8,10H,1-2,9,11-13H2,(H,22,24)