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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-hexyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-hexyl-pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-hexyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-hexylpyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-hexyl-pyrrolidine-3-carboxylic acid Formula: C28H44N2O5 MolecularWeight: 488.65936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C28H44N2O5/c1-4-7-10-11-12-23-27(28(32)33)22(21-13-14-24-25(17-21)35-20-34-24)18-30(23)19-26(31)29(15-8-5-2)16-9-6-3/h13-14,17,22-23,27H,4-12,15-16,18-20H2,1-3H3,(H,32,33)