(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-N-piperonyl-pyrrolidine-3-carboxamide Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H22N2O6/c1-26-15-4-5-16(18(9-15)27-2)23-11-14(8-20(23)24)21(25)22-10-13-3-6-17-19(7-13)29-12-28-17/h3-7,9,14H,8,10-12H2,1-2H3,(H,22,25)/t14-/m0/s1