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

Systemtic Name: 1-[[4-[5-(3-methylbutyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-isopentylbenzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[5-(3-methylbutyl)-2-benzofuranyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[5-(3-methylbutyl)-1-benzofuran-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-isoamylbenzofuran-2-yl)benzyl]azetidine-3-carboxylic acid Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C24H27NO3/c1-16(2)3-4-17-7-10-22-20(11-17)12-23(28-22)19-8-5-18(6-9-19)13-25-14-21(15-25)24(26)27/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,26,27)