tert-butyl 4-[1-(2-cyano-3-oxidanylidene-cyclopentyl)pentan-3-yl]benzoate

Systemtic Name: tert-butyl 4-[1-(2-cyano-3-oxidanylidene-cyclopentyl)pentan-3-yl]benzoate Openeye Name: tert-butyl 4-[3-(2-cyano-3-oxo-cyclopentyl)-1-ethyl-propyl]benzoate CAS Name: 4-[1-(2-cyano-3-oxocyclopentyl)pentan-3-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-cyano-3-oxocyclopentyl)pentan-3-yl]benzoate Traditional Name: 4-[3-(2-cyano-3-keto-cyclopentyl)-1-ethyl-propyl]benzoic acid tert-butyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1CCC(=O)C1C#N)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCC1CCC(=O)C1C#N)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO3/c1-5-15(6-9-17-12-13-20(24)19(17)14-23)16-7-10-18(11-8-16)21(25)26-22(2,3)4/h7-8,10-11,15,17,19H,5-6,9,12-13H2,1-4H3