ethyl 4-(5-chloranyl-2-methyl-phenyl)-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-2-methyl-phenyl)-4-cyano-cyclohexane-1-carboxylate Openeye Name: ethyl 4-(5-chloro-2-methyl-phenyl)-4-cyano-cyclohexanecarboxylate CAS Name: 4-(5-chloro-2-methylphenyl)-4-cyano-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-methylphenyl)-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-(5-chloro-2-methyl-phenyl)-4-cyano-cyclohexanecarboxylic acid ethyl ester Formula: C17H20ClNO2 MolecularWeight: 305.7992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C#N)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C#N)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C17H20ClNO2/c1-3-21-16(20)13-6-8-17(11-19,9-7-13)15-10-14(18)5-4-12(15)2/h4-5,10,13H,3,6-9H2,1-2H3