1,3-benzodioxol-5-yl (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19NO6/c1-12-3-5-16(24-2)15(7-12)21-10-13(8-19(21)22)20(23)27-14-4-6-17-18(9-14)26-11-25-17/h3-7,9,13H,8,10-11H2,1-2H3/t13-/m0/s1