1-[[6-(5-butoxy-1-benzofuran-2-yl)pyridin-3-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[6-(5-butoxy-1-benzofuran-2-yl)pyridin-3-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[6-(5-butoxybenzofuran-2-yl)-3-pyridyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[6-(5-butoxy-2-benzofuranyl)-3-pyridinyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[6-(5-butoxy-1-benzofuran-2-yl)pyridin-3-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[6-(5-butoxybenzofuran-2-yl)-3-pyridyl]methyl]azetidine-3-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=NC=C(C=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=NC=C(C=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-2-3-8-27-18-5-7-20-16(9-18)10-21(28-20)19-6-4-15(11-23-19)12-24-13-17(14-24)22(25)26/h4-7,9-11,17H,2-3,8,12-14H2,1H3,(H,25,26)