(4-propylphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: (4-propylphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCC)C#N

InChI

InChI=1S/C21H29NO2/c1-3-5-13-21(16-22)14-11-18(12-15-21)20(23)24-19-9-7-17(6-4-2)8-10-19/h7-10,18H,3-6,11-15H2,1-2H3