4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxidanylidenehexyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxidanylidenehexyl)pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxohexyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxohexyl)-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxohexyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ketohexyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Formula: C25H28NO6- MolecularWeight: 438.49292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29NO6/c1-3-4-5-18(27)13-26-14-20(17-8-11-21-22(12-17)32-15-31-21)23(25(28)29)24(26)16-6-9-19(30-2)10-7-16/h6-12,20,23-24H,3-5,13-15H2,1-2H3,(H,28,29)/p-1