4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzenecarbonitrile

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzenecarbonitrile Openeye Name: 4-(6,7-dimethoxyisochroman-1-yl)benzonitrile CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)benzonitrile IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzonitrile Traditional Name: 4-(6,7-dimethoxyisochroman-1-yl)benzonitrile Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C18H17NO3/c1-20-16-9-14-7-8-22-18(15(14)10-17(16)21-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18H,7-8H2,1-2H3