4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxidanylidene-3-propyl-hexyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxidanylidene-3-propyl-hexyl)pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxo-3-propyl-hexyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxo-3-propylhexyl)-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxo-3-propylhexyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-keto-3-propyl-hexyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Formula: C28H34NO6- MolecularWeight: 480.57266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO6/c1-4-6-18(7-5-2)23(30)16-29-15-22(20-10-13-24-25(14-20)35-17-34-24)26(28(31)32)27(29)19-8-11-21(33-3)12-9-19/h8-14,18,22,26-27H,4-7,15-17H2,1-3H3,(H,31,32)/p-1