(4-butyl-4-cyano-cyclohexyl) 4-propoxybenzoate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-propoxybenzoate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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