butyl 3-imidazol-1-yl-4-oxidanylidene-2,3-dihydrochromene-2-carboxylate

Systemtic Name: butyl 3-imidazol-1-yl-4-oxidanylidene-2,3-dihydrochromene-2-carboxylate Openeye Name: butyl 3-imidazol-1-yl-4-oxo-chromane-2-carboxylate CAS Name: 3-(1-imidazolyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid butyl ester IUPAC Name: butyl 3-imidazol-1-yl-4-oxo-2,3-dihydrochromene-2-carboxylate Traditional Name: 3-imidazol-1-yl-4-keto-chroman-2-carboxylic acid butyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C(=O)C2=CC=CC=C2O1)N3C=CN=C3

Isomeric SMILES

CCCCOC(=O)C1C(C(=O)C2=CC=CC=C2O1)N3C=CN=C3

InChI

InChI=1S/C17H18N2O4/c1-2-3-10-22-17(21)16-14(19-9-8-18-11-19)15(20)12-6-4-5-7-13(12)23-16/h4-9,11,14,16H,2-3,10H2,1H3