(4-heptoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: (4-heptoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-heptoxyphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-heptoxyphenyl) ester Formula: C28H43NO3 MolecularWeight: 441.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCCCCC)C#N

InChI

InChI=1S/C28H43NO3/c1-3-5-7-9-11-19-28(23-29)20-17-24(18-21-28)27(30)32-26-15-13-25(14-16-26)31-22-12-10-8-6-4-2/h13-16,24H,3-12,17-22H2,1-2H3