[4-(2-cyanoethyl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(2-cyanoethyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(2-cyanoethyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(2-cyanoethyl)phenyl] ester IUPAC Name: [4-(2-cyanoethyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(2-cyanoethyl)phenyl] ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC#N

InChI

InChI=1S/C21H29NO2/c1-2-3-4-6-17-8-12-19(13-9-17)21(23)24-20-14-10-18(11-15-20)7-5-16-22/h10-11,14-15,17,19H,2-9,12-13H2,1H3