3-(2,3-dihydro-1-benzofuran-6-yl)-4-(4-propanoylimidazol-1-yl)butanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-4-(4-propanoylimidazol-1-yl)butanoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-6-yl)-4-(4-propanoylimidazol-1-yl)butanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-4-[4-(1-oxopropyl)-1-imidazolyl]butanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-4-(4-propanoylimidazol-1-yl)butanoic acid Traditional Name: 3-coumaran-6-yl-4-(4-propionylimidazol-1-yl)butyric acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C=N1)CC(CC(=O)O)C2=CC3=C(CCO3)C=C2

Isomeric SMILES

CCC(=O)C1=CN(C=N1)CC(CC(=O)O)C2=CC3=C(CCO3)C=C2

InChI

InChI=1S/C18H20N2O4/c1-2-16(21)15-10-20(11-19-15)9-14(8-18(22)23)13-4-3-12-5-6-24-17(12)7-13/h3-4,7,10-11,14H,2,5-6,8-9H2,1H3,(H,22,23)