1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(4-propoxyphenyl)phenyl]cyclohexanecarbonitrile Formula: C27H35NO MolecularWeight: 389.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C27H35NO/c1-4-18-29-26-12-10-24(11-13-26)22-6-8-23(9-7-22)25-14-16-27(20-28,17-15-25)19-21(3)5-2/h6-13,21,25H,4-5,14-19H2,1-3H3