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

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-piperonyl-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-2-26-17-6-4-16(5-7-17)23-12-15(10-20(23)24)21(25)22-11-14-3-8-18-19(9-14)28-13-27-18/h3-9,15H,2,10-13H2,1H3,(H,22,25)/t15-/m0/s1