2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]pyrrolidine-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]pyrrolidine-3-carboxylic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CCC(C1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CCC(C1C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C22H32N2O5/c1-3-5-10-23(11-6-4-2)20(25)14-24-12-9-17(22(26)27)21(24)16-7-8-18-19(13-16)29-15-28-18/h7-8,13,17,21H,3-6,9-12,14-15H2,1-2H3,(H,26,27)