3-(4-heptylcyclohexyl)-2-methoxy-benzenecarbonitrile

Systemtic Name: 3-(4-heptylcyclohexyl)-2-methoxy-benzenecarbonitrile Openeye Name: 3-(4-heptylcyclohexyl)-2-methoxy-benzonitrile CAS Name: 3-(4-heptylcyclohexyl)-2-methoxybenzonitrile IUPAC Name: 3-(4-heptylcyclohexyl)-2-methoxybenzonitrile Traditional Name: 3-(4-heptylcyclohexyl)-2-methoxy-benzonitrile Formula: C21H31NO MolecularWeight: 313.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=CC(=C2OC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=CC(=C2OC)C#N

InChI

InChI=1S/C21H31NO/c1-3-4-5-6-7-9-17-12-14-18(15-13-17)20-11-8-10-19(16-22)21(20)23-2/h8,10-11,17-18H,3-7,9,12-15H2,1-2H3