4-[4-[4-(pentoxymethyl)cyclohexyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(pentoxymethyl)cyclohexyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(pentoxymethyl)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-[4-(pentoxymethyl)cyclohexyl]phenyl]benzonitrile IUPAC Name: 4-[4-[4-(pentoxymethyl)cyclohexyl]phenyl]benzonitrile Traditional Name: 4-[4-[4-(amoxymethyl)cyclohexyl]phenyl]benzonitrile Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31NO/c1-2-3-4-17-27-19-21-7-11-23(12-8-21)25-15-13-24(14-16-25)22-9-5-20(18-26)6-10-22/h5-6,9-10,13-16,21,23H,2-4,7-8,11-12,17,19H2,1H3