(1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethyl-phenyl)-6-methoxy-8-methyl-1-oxidanyl-3,4-dihydro-1H-isochromene-5-carbonitrile

Systemtic Name: (1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethyl-phenyl)-6-methoxy-8-methyl-1-oxidanyl-3,4-dihydro-1H-isochromene-5-carbonitrile Openeye Name: (1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethyl-phenyl)-1-hydroxy-6-methoxy-8-methyl-isochromane-5-carbonitrile CAS Name: (1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethylphenyl)-1-hydroxy-6-methoxy-8-methyl-3,4-dihydro-1H-2-benzopyran-5-carbonitrile IUPAC Name: (1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethylphenyl)-1-hydroxy-6-methoxy-8-methyl-3,4-dihydro-1H-isochromene-5-carbonitrile Traditional Name: (1S,3S)-3-(3-cyano-4-methoxy-2,6-dimethyl-phenyl)-1-hydroxy-6-methoxy-8-methyl-isochroman-5-carbonitrile Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2CC3=C(C(O2)O)C(=CC(=C3C#N)OC)C)C)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-11-6-17(26-4)15(9-23)13(3)20(11)19-8-14-16(10-24)18(27-5)7-12(2)21(14)22(25)28-19/h6-7,19,22,25H,8H2,1-5H3/t19-,22-/m0/s1