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

Systemtic Name: 1-[4-(5-butoxy-1-benzofuran-2-yl)-3-methoxy-phenyl]azetidine-3-carboxylic acid Openeye Name: 1-[4-(5-butoxybenzofuran-2-yl)-3-methoxy-phenyl]azetidine-3-carboxylic acid CAS Name: 1-[4-(5-butoxy-2-benzofuranyl)-3-methoxyphenyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[4-(5-butoxy-1-benzofuran-2-yl)-3-methoxyphenyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-butoxybenzofuran-2-yl)-3-methoxy-phenyl]azetidine-3-carboxylic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)N4CC(C4)C(=O)O)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)N4CC(C4)C(=O)O)OC

InChI

InChI=1S/C23H25NO5/c1-3-4-9-28-18-6-8-20-15(10-18)11-22(29-20)19-7-5-17(12-21(19)27-2)24-13-16(14-24)23(25)26/h5-8,10-12,16H,3-4,9,13-14H2,1-2H3,(H,25,26)