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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-1-cyano-cyclohexanecarboxylate CAS Name: 3-chloro-1-cyano-1-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-1-cyanocyclohexane-1-carboxylate Traditional Name: 3-chloro-1-cyano-cyclohexanecarboxylic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C27H32ClNO3 MolecularWeight: 454.00088

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClNO3/c1-2-3-4-5-6-18-31-24-13-9-21(10-14-24)22-11-15-25(16-12-22)32-26(30)27(20-29)17-7-8-23(28)19-27/h9-16,23H,2-8,17-19H2,1H3