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

Systemtic Name: 1-[[4-[(5-chloranyl-1-benzofuran-3-yl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[(5-chlorobenzofuran-3-yl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[(5-chloro-3-benzofuranyl)methoxy]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[(5-chloro-1-benzofuran-3-yl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[(5-chlorobenzofuran-3-yl)methoxy]benzyl]azetidine-3-carboxylic acid Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC2=CC=C(C=C2)OCC3=COC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C(CN1CC2=CC=C(C=C2)OCC3=COC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H18ClNO4/c21-16-3-6-19-18(7-16)15(12-26-19)11-25-17-4-1-13(2-5-17)8-22-9-14(10-22)20(23)24/h1-7,12,14H,8-11H2,(H,23,24)