(4-butoxyphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: (4-butoxyphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-butoxyphenyl) 4-cyano-4-propyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-propyl-1-cyclohexanecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-cyano-4-propylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-propyl-cyclohexanecarboxylic acid (4-butoxyphenyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCC)C#N

InChI

InChI=1S/C21H29NO3/c1-3-5-15-24-18-6-8-19(9-7-18)25-20(23)17-10-13-21(16-22,12-4-2)14-11-17/h6-9,17H,3-5,10-15H2,1-2H3