[4-(4-heptoxyphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-ethyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-ethyl-1-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-ethylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-ethyl-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

InChI

InChI=1S/C29H37NO3/c1-3-5-6-7-8-20-32-26-15-11-24(12-16-26)25-13-17-27(18-14-25)33-28(31)29(22-30)19-9-10-23(4-2)21-29/h11-18,23H,3-10,19-21H2,1-2H3