(1S,3S)-3-(5-cyano-2,4-dimethyl-phenyl)-6-methyl-1-oxidanyl-3,4-dihydro-1H-isochromene-7-carbonitrile

Systemtic Name: (1S,3S)-3-(5-cyano-2,4-dimethyl-phenyl)-6-methyl-1-oxidanyl-3,4-dihydro-1H-isochromene-7-carbonitrile Openeye Name: (1S,3S)-3-(5-cyano-2,4-dimethyl-phenyl)-1-hydroxy-6-methyl-isochromane-7-carbonitrile CAS Name: (1S,3S)-3-(5-cyano-2,4-dimethylphenyl)-1-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-7-carbonitrile IUPAC Name: (1S,3S)-3-(5-cyano-2,4-dimethylphenyl)-1-hydroxy-6-methyl-3,4-dihydro-1H-isochromene-7-carbonitrile Traditional Name: (1S,3S)-3-(5-cyano-2,4-dimethyl-phenyl)-1-hydroxy-6-methyl-isochroman-7-carbonitrile Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)C2CC3=C(C=C(C(=C3)C)C#N)C(O2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C#N)[C@@H]2CC3=C(C=C(C(=C3)C)C#N)[C@H](O2)O)C

InChI

InChI=1S/C20H18N2O2/c1-11-4-13(3)17(6-15(11)9-21)19-8-14-5-12(2)16(10-22)7-18(14)20(23)24-19/h4-7,19-20,23H,8H2,1-3H3/t19-,20-/m0/s1