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

Systemtic Name: (4-propoxyphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-propoxyphenyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid (4-propoxyphenyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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