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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-butyl-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-butyl-1-[2-(dibutylamino)-2-oxo-ethyl]pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-butyl-1-[2-(dibutylamino)-2-oxoethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-butyl-1-[2-(dibutylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-butyl-1-[2-(dibutylamino)-2-keto-ethyl]pyrrolidine-3-carboxylic acid Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C26H40N2O5/c1-4-7-10-21-25(26(30)31)20(19-11-12-22-23(15-19)33-18-32-22)16-28(21)17-24(29)27(13-8-5-2)14-9-6-3/h11-12,15,20-21,25H,4-10,13-14,16-18H2,1-3H3,(H,30,31)