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

Systemtic Name: (3R,4S)-4-[(4-fluorophenyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-(4-fluoroanilino)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-(4-fluoroanilino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-(4-fluoroanilino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-(4-fluoroanilino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H17FN2O2 MolecularWeight: 312.338183

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=C(C=C3)F)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NC3=CC=C(C=C3)F)O)C

InChI

InChI=1S/C18H17FN2O2/c1-18(2)17(22)16(21-13-6-4-12(19)5-7-13)14-9-11(10-20)3-8-15(14)23-18/h3-9,16-17,21-22H,1-2H3/t16-,17+/m0/s1