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

Systemtic Name: 1-[[4-[5-(2-methylpropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-isobutylbenzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[5-(2-methylpropyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[5-(2-methylpropyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-isobutylbenzofuran-2-yl)benzyl]azetidine-3-carboxylic acid Formula: C23H25NO3 MolecularWeight: 363.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C23H25NO3/c1-15(2)9-17-5-8-21-19(10-17)11-22(27-21)18-6-3-16(4-7-18)12-24-13-20(14-24)23(25)26/h3-8,10-11,15,20H,9,12-14H2,1-2H3,(H,25,26)