4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)pentanenitrile

Systemtic Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)pentanenitrile Openeye Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)pentanenitrile CAS Name: 4-[(1E)-1-cyclooctenyl]-5-(4-methoxyphenyl)pentanenitrile IUPAC Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)pentanenitrile Traditional Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methoxyphenyl)valeronitrile Formula: C20H27NO MolecularWeight: 297.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CCC#N)C2=CCCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)CC(CCC#N)/C/2=C/CCCCCC2

InChI

InChI=1S/C20H27NO/c1-22-20-13-11-17(12-14-20)16-19(10-7-15-21)18-8-5-3-2-4-6-9-18/h8,11-14,19H,2-7,9-10,16H2,1H3/b18-8+