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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-heptyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-heptyl-pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-heptyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-heptylpyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-heptyl-pyrrolidine-3-carboxylic acid Formula: C29H46N2O5 MolecularWeight: 502.68594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCCCCC1C(C(CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C29H46N2O5/c1-4-7-10-11-12-13-24-28(29(33)34)23(22-14-15-25-26(18-22)36-21-35-25)19-31(24)20-27(32)30(16-8-5-2)17-9-6-3/h14-15,18,23-24,28H,4-13,16-17,19-21H2,1-3H3,(H,33,34)