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

Systemtic Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)-3-chloranyl-phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-butoxybenzofuran-2-yl)-3-chloro-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-butoxy-2-benzofuranyl)-3-chlorophenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)-3-chlorophenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-butoxybenzofuran-2-yl)-3-chloro-benzyl]azetidine-3-carboxylic acid Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)CN4CC(C4)C(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)CN4CC(C4)C(=O)O)Cl

InChI

InChI=1S/C23H24ClNO4/c1-2-3-8-28-18-5-7-21-16(10-18)11-22(29-21)19-6-4-15(9-20(19)24)12-25-13-17(14-25)23(26)27/h4-7,9-11,17H,2-3,8,12-14H2,1H3,(H,26,27)