(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-(2-fluorophenyl)methanone; N-ethylethanamine; hydrochloride

Systemtic Name: (3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-(2-fluorophenyl)methanone; N-ethylethanamine; hydrochloride Openeye Name: (3-tert-butyl-4-hydroxy-5-methyl-phenyl)-(2-fluorophenyl)methanone; N-ethylethanamine; hydrochloride CAS Name: (3-tert-butyl-4-hydroxy-5-methylphenyl)-(2-fluorophenyl)methanone; N-ethylethanamine; hydrochloride IUPAC Name: (3-tert-butyl-4-hydroxy-5-methylphenyl)-(2-fluorophenyl)methanone; N-ethylethanamine; hydrochloride Traditional Name: (3-tert-butyl-4-hydroxy-5-methyl-phenyl)-(2-fluorophenyl)methanone; diethylamine; hydrochloride Formula: C22H31ClFNO2 MolecularWeight: 395.938443

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=C(C(=CC(=C1)C(=O)C2=CC=CC=C2F)C(C)(C)C)O.Cl

Isomeric SMILES

CCNCC.CC1=C(C(=CC(=C1)C(=O)C2=CC=CC=C2F)C(C)(C)C)O.Cl

InChI

InChI=1S/C18H19FO2.C4H11N.ClH/c1-11-9-12(10-14(16(11)20)18(2,3)4)17(21)13-7-5-6-8-15(13)19;1-3-5-4-2;/h5-10,20H,1-4H3;5H,3-4H2,1-2H3;1H