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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-pyridin-3-yl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(3-pyridyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3-pyridinyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-pyridin-3-ylpyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(3-pyridyl)pyrrolidine-3-carboxylic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CN=CC=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CN=CC=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H35N3O5/c1-3-5-12-29(13-6-4-2)24(31)17-30-16-21(19-9-10-22-23(14-19)35-18-34-22)25(27(32)33)26(30)20-8-7-11-28-15-20/h7-11,14-15,21,25-26H,3-6,12-13,16-18H2,1-2H3,(H,32,33)