[4-[(E)-5-oxidanylidenepent-3-enyl]cyclohexyl] 4-cyanobenzoate

Systemtic Name: [4-[(E)-5-oxidanylidenepent-3-enyl]cyclohexyl] 4-cyanobenzoate Openeye Name: [4-[(E)-5-oxopent-3-enyl]cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-[(E)-5-oxopent-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-5-oxopent-3-enyl]cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-[(E)-5-ketopent-3-enyl]cyclohexyl] ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=O)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C/C=O)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21NO3/c20-14-16-5-9-17(10-6-16)19(22)23-18-11-7-15(8-12-18)4-2-1-3-13-21/h1,3,5-6,9-10,13,15,18H,2,4,7-8,11-12H2/b3-1+