6-tert-butyl-3-imidazol-1-yl-7-oxidanyl-2,3-dihydrochromen-4-one hydrochloride

Systemtic Name: 6-tert-butyl-3-imidazol-1-yl-7-oxidanyl-2,3-dihydrochromen-4-one hydrochloride Openeye Name: 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-chroman-4-one hydrochloride CAS Name: 6-tert-butyl-7-hydroxy-3-(1-imidazolyl)-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride IUPAC Name: 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one hydrochloride Traditional Name: 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-chroman-4-one hydrochloride Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C(=C1)C(=O)C(CO2)N3C=CN=C3)O.Cl

Isomeric SMILES

CC(C)(C)C1=C(C=C2C(=C1)C(=O)C(CO2)N3C=CN=C3)O.Cl

InChI

InChI=1S/C16H18N2O3.ClH/c1-16(2,3)11-6-10-14(7-13(11)19)21-8-12(15(10)20)18-5-4-17-9-18;/h4-7,9,12,19H,8H2,1-3H3;1H