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

Systemtic Name: 1-[[4-(5-cyclopentyl-1-benzofuran-2-yl)-3-methoxy-phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-(5-cyclopentylbenzofuran-2-yl)-3-methoxy-phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-(5-cyclopentyl-2-benzofuranyl)-3-methoxyphenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-(5-cyclopentyl-1-benzofuran-2-yl)-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-(5-cyclopentylbenzofuran-2-yl)-3-methoxy-benzyl]azetidine-3-carboxylic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC(C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)C5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CC(C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)C5CCCC5

InChI

InChI=1S/C25H27NO4/c1-29-23-10-16(13-26-14-20(15-26)25(27)28)6-8-21(23)24-12-19-11-18(7-9-22(19)30-24)17-4-2-3-5-17/h6-12,17,20H,2-5,13-15H2,1H3,(H,27,28)