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

Systemtic Name: 1-[[6-[5-(phenylmethyl)-1-benzofuran-2-yl]pyridin-3-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[6-(5-benzylbenzofuran-2-yl)-3-pyridyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[6-[5-(phenylmethyl)-2-benzofuranyl]-3-pyridinyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[6-(5-benzyl-1-benzofuran-2-yl)pyridin-3-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[6-(5-benzylbenzofuran-2-yl)-3-pyridyl]methyl]azetidine-3-carboxylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CN=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CN=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H22N2O3/c28-25(29)21-15-27(16-21)14-19-6-8-22(26-13-19)24-12-20-11-18(7-9-23(20)30-24)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,28,29)