ethyl 2-[2-[5-(cyanomethyl)-2-methyl-phenyl]ethanoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-[2-[5-(cyanomethyl)-2-methyl-phenyl]ethanoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[2-[5-(cyanomethyl)-2-methyl-phenyl]acetyl]cyclohexanecarboxylate CAS Name: 2-[2-[5-(cyanomethyl)-2-methylphenyl]-1-oxoethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[5-(cyanomethyl)-2-methylphenyl]acetyl]cyclohexane-1-carboxylate Traditional Name: 2-[2-[5-(cyanomethyl)-2-methyl-phenyl]acetyl]cyclohexanecarboxylic acid ethyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1C(=O)CC2=C(C=CC(=C2)CC#N)C

Isomeric SMILES

CCOC(=O)C1CCCCC1C(=O)CC2=C(C=CC(=C2)CC#N)C

InChI

InChI=1S/C20H25NO3/c1-3-24-20(23)18-7-5-4-6-17(18)19(22)13-16-12-15(10-11-21)9-8-14(16)2/h8-9,12,17-18H,3-7,10,13H2,1-2H3