1-[[4-[5-(6-methylpyridin-2-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[5-(6-methylpyridin-2-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[5-(6-methyl-2-pyridyl)benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[5-(6-methyl-2-pyridinyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[5-(6-methylpyridin-2-yl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[5-(6-methyl-2-pyridyl)benzofuran-2-yl]benzyl]azetidine-3-carboxylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)CN5CC(C5)C(=O)O

Isomeric SMILES

CC1=CC=CC(=N1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)CN5CC(C5)C(=O)O

InChI

InChI=1S/C25H22N2O3/c1-16-3-2-4-22(26-16)19-9-10-23-20(11-19)12-24(30-23)18-7-5-17(6-8-18)13-27-14-21(15-27)25(28)29/h2-12,21H,13-15H2,1H3,(H,28,29)