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

Systemtic Name: [4-(4-ethoxyphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate Openeye Name: [4-(4-ethoxyphenyl)phenyl] 3-chloro-1-cyano-cyclohexanecarboxylate CAS Name: 3-chloro-1-cyano-1-cyclohexanecarboxylic acid [4-(4-ethoxyphenyl)phenyl] ester IUPAC Name: [4-(4-ethoxyphenyl)phenyl] 3-chloro-1-cyanocyclohexane-1-carboxylate Traditional Name: 3-chloro-1-cyano-cyclohexanecarboxylic acid (4-p-phenetylphenyl) ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

InChI

InChI=1S/C22H22ClNO3/c1-2-26-19-9-5-16(6-10-19)17-7-11-20(12-8-17)27-21(25)22(15-24)13-3-4-18(23)14-22/h5-12,18H,2-4,13-14H2,1H3