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

Systemtic Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)-3-methoxy-phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-butoxybenzofuran-2-yl)-3-methoxy-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-butoxy-2-benzofuranyl)-3-methoxyphenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-butoxy-1-benzofuran-2-yl)-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-butoxybenzofuran-2-yl)-3-methoxy-benzyl]azetidine-3-carboxylic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-3-4-9-29-19-6-8-21-17(11-19)12-23(30-21)20-7-5-16(10-22(20)28-2)13-25-14-18(15-25)24(26)27/h5-8,10-12,18H,3-4,9,13-15H2,1-2H3,(H,26,27)