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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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