3-(4-heptoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile

Systemtic Name: 3-(4-heptoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-(4-heptoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-(4-heptoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-(4-heptoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-(4-heptoxyphenyl)propionitrile Formula: C27H43NO MolecularWeight: 397.63642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

InChI

InChI=1S/C27H43NO/c1-3-5-7-8-10-20-29-27-18-14-24(15-19-27)21-26(22-28)25-16-12-23(13-17-25)11-9-6-4-2/h14-15,18-19,23,25-26H,3-13,16-17,20-21H2,1-2H3