1-butyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-heptoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(4-heptoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C30H41NO MolecularWeight: 431.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C30H41NO/c1-3-5-7-8-9-23-32-29-16-14-27(15-17-29)25-10-12-26(13-11-25)28-18-21-30(24-31,22-19-28)20-6-4-2/h10-17,28H,3-9,18-23H2,1-2H3