1-[[3-methyl-6-(4-phenylbutoxy)-1-benzofuran-2-yl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[3-methyl-6-(4-phenylbutoxy)-1-benzofuran-2-yl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[3-methyl-6-(4-phenylbutoxy)benzofuran-2-yl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[3-methyl-6-(4-phenylbutoxy)-2-benzofuranyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[3-methyl-6-(4-phenylbutoxy)-1-benzofuran-2-yl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[[3-methyl-6-(4-phenylbutoxy)benzofuran-2-yl]methyl]azetidine-3-carboxylic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CN4CC(C4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)OCCCCC3=CC=CC=C3)CN4CC(C4)C(=O)O

InChI

InChI=1S/C24H27NO4/c1-17-21-11-10-20(28-12-6-5-9-18-7-3-2-4-8-18)13-22(21)29-23(17)16-25-14-19(15-25)24(26)27/h2-4,7-8,10-11,13,19H,5-6,9,12,14-16H2,1H3,(H,26,27)