3-[4-(4-heptylphenyl)cyclohexyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(4-heptylphenyl)cyclohexyl]prop-2-ynenitrile Openeye Name: 3-[4-(4-heptylphenyl)cyclohexyl]prop-2-ynenitrile CAS Name: 3-[4-(4-heptylphenyl)cyclohexyl]-2-propynenitrile IUPAC Name: 3-[4-(4-heptylphenyl)cyclohexyl]prop-2-ynenitrile Traditional Name: 3-[4-(4-heptylphenyl)cyclohexyl]propiolonitrile Formula: C22H29N MolecularWeight: 307.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC#N

InChI

InChI=1S/C22H29N/c1-2-3-4-5-6-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-7-18-23/h10-11,14-15,20,22H,2-6,8,12-13,16-17H2,1H3