5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxy-benzenecarbonitrile

Systemtic Name: 5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxy-benzenecarbonitrile Openeye Name: 5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxy-benzonitrile CAS Name: 5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxybenzonitrile IUPAC Name: 5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxybenzonitrile Traditional Name: 5-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]-2-propoxy-benzonitrile Formula: C27H35NO MolecularWeight: 389.5729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO/c1-4-16-29-27-15-14-25(18-26(27)19-28)24-12-10-23(11-13-24)22-8-6-21(7-9-22)17-20(3)5-2/h10-15,18,20-22H,4-9,16-17H2,1-3H3