methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC

InChI

InChI=1S/C21H21NO6/c1-25-15-6-3-13(4-7-15)20(14-5-9-17-18(11-14)28-12-27-17)22-16(21(24)26-2)8-10-19(22)23/h3-7,9,11,16,20H,8,10,12H2,1-2H3