methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-28-21(26)11-17(14-5-3-2-4-6-14)23-22(27)15-9-20(25)24(12-15)16-7-8-18-19(10-16)30-13-29-18/h2-8,10,15,17H,9,11-13H2,1H3,(H,23,27)