4-[2-(3,4-dihydro-1H-isochromen-4-yl)-1-oxidanyl-but-3-enyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3,4-dihydro-1H-isochromen-4-yl)-1-oxidanyl-but-3-enyl]benzenecarbonitrile Openeye Name: 4-(1-hydroxy-2-isochroman-4-yl-but-3-enyl)benzonitrile CAS Name: 4-[2-(3,4-dihydro-1H-2-benzopyran-4-yl)-1-hydroxybut-3-enyl]benzonitrile IUPAC Name: 4-[2-(3,4-dihydro-1H-isochromen-4-yl)-1-hydroxybut-3-enyl]benzonitrile Traditional Name: 4-(1-hydroxy-2-isochroman-4-yl-but-3-enyl)benzonitrile Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1COCC2=CC=CC=C12)C(C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C=CC(C1COCC2=CC=CC=C12)C(C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H19NO2/c1-2-17(20(22)15-9-7-14(11-21)8-10-15)19-13-23-12-16-5-3-4-6-18(16)19/h2-10,17,19-20,22H,1,12-13H2