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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C#N)C)C2CC3=C(C=C(C=C3C#N)C)C(O2)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C#N)C)[C@@H]2CC3=C(C=C(C=C3C#N)C)[C@H](O2)O

InChI

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