4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(hydroxymethyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(hydroxymethyl)pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(hydroxymethyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(hydroxymethyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-methylol-pyrrolidine-3-carboxylate Formula: C23H33N2O6- MolecularWeight: 433.51792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1CO)C(=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CC(C(C1CO)C(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H34N2O6/c1-3-5-9-24(10-6-4-2)21(27)13-25-12-17(22(23(28)29)18(25)14-26)16-7-8-19-20(11-16)31-15-30-19/h7-8,11,17-18,22,26H,3-6,9-10,12-15H2,1-2H3,(H,28,29)/p-1