ethyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6/c1-2-27-21(26)13-4-3-5-15(8-13)22-20(25)14-9-19(24)23(11-14)16-6-7-17-18(10-16)29-12-28-17/h3-8,10,14H,2,9,11-12H2,1H3,(H,22,25)