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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C28H35NO3 MolecularWeight: 433.5824

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3/c1-3-4-5-6-7-19-31-25-14-10-23(11-15-25)24-12-16-26(17-13-24)32-27(30)28(21-29)18-8-9-22(2)20-28/h10-17,22H,3-9,18-20H2,1-2H3