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

Systemtic Name: 4-[(4-fluorophenyl)-(2-oxidanylpropyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4-fluoro-N-(2-hydroxypropyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[4-fluoro-N-(2-hydroxypropyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4-fluoro-N-(2-hydroxypropyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[4-fluoro-N-(2-hydroxypropyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(CN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H23FN2O3/c1-13(25)12-24(16-7-5-15(22)6-8-16)19-17-10-14(11-23)4-9-18(17)27-21(2,3)20(19)26/h4-10,13,19-20,25-26H,12H2,1-3H3