2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]pyrrolidine-3-carboxylic acid CAS Name: 2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid Traditional Name: 2,4-bis(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]pyrrolidine-3-carboxylic acid Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H36N2O7/c1-3-5-11-30(12-6-4-2)26(32)16-31-15-21(19-7-9-22-24(13-19)37-17-35-22)27(29(33)34)28(31)20-8-10-23-25(14-20)38-18-36-23/h7-10,13-14,21,27-28H,3-6,11-12,15-18H2,1-2H3,(H,33,34)