6-heptoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile

Systemtic Name: 6-heptoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile Openeye Name: 6-heptoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile CAS Name: 6-heptoxy-3-phenyl-1-cyclohexa-1,4-dienecarbonitrile IUPAC Name: 6-heptoxy-3-phenylcyclohexa-1,4-diene-1-carbonitrile Traditional Name: 6-heptoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile Formula: C20H25NO MolecularWeight: 295.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C=CC(C=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1C=CC(C=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO/c1-2-3-4-5-9-14-22-20-13-12-18(15-19(20)16-21)17-10-7-6-8-11-17/h6-8,10-13,15,18,20H,2-5,9,14H2,1H3