4-[(4-fluorophenyl)-(2-methyl-2-oxidanyl-propyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)-(2-methyl-2-oxidanyl-propyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(4-fluoro-N-(2-hydroxy-2-methyl-propyl)anilino)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(4-fluoro-N-(2-hydroxy-2-methylpropyl)anilino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(4-fluoro-N-(2-hydroxy-2-methylpropyl)anilino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(4-fluoro-N-(2-hydroxy-2-methyl-propyl)anilino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(C)(C)O)C3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(C)(C)O)C3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C22H25FN2O3/c1-21(2,27)13-25(16-8-6-15(23)7-9-16)19-17-11-14(12-24)5-10-18(17)28-22(3,4)20(19)26/h5-11,19-20,26-27H,13H2,1-4H3