4-(4-octylphenyl)-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-(4-octylphenyl)-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-(4-octylphenyl)-1-(3-oxocyclohexyl)cyclohexanecarbonitrile CAS Name: 4-(4-octylphenyl)-1-(3-oxocyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-octylphenyl)-1-(3-oxocyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 1-(3-ketocyclohexyl)-4-(4-octylphenyl)cyclohexanecarbonitrile Formula: C27H39NO MolecularWeight: 393.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)(C#N)C3CCCC(=O)C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)(C#N)C3CCCC(=O)C3

InChI

InChI=1S/C27H39NO/c1-2-3-4-5-6-7-9-22-12-14-23(15-13-22)24-16-18-27(21-28,19-17-24)25-10-8-11-26(29)20-25/h12-15,24-25H,2-11,16-20H2,1H3