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

Systemtic Name: 1-[[4-(5-phenethyl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-phenethylbenzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-phenethyl-2-benzofuranyl)phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-phenethyl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-phenethylbenzofuran-2-yl)benzyl]azetidine-3-carboxylic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)CCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H25NO3/c29-27(30)24-17-28(18-24)16-21-8-11-22(12-9-21)26-15-23-14-20(10-13-25(23)31-26)7-6-19-4-2-1-3-5-19/h1-5,8-15,24H,6-7,16-18H2,(H,29,30)