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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxidanylidenehexyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 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-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H33NO6/c1-4-6-7-20(29)15-28-16-22(19-10-13-23-24(14-19)34-17-33-23)25(27(30)32-5-2)26(28)18-8-11-21(31-3)12-9-18/h8-14,22,25-26H,4-7,15-17H2,1-3H3