tert-butyl 4-[3-(2-cyano-3-oxidanylidene-cyclopentyl)propyl]benzoate

Systemtic Name: tert-butyl 4-[3-(2-cyano-3-oxidanylidene-cyclopentyl)propyl]benzoate Openeye Name: tert-butyl 4-[3-(2-cyano-3-oxo-cyclopentyl)propyl]benzoate CAS Name: 4-[3-(2-cyano-3-oxocyclopentyl)propyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-cyano-3-oxocyclopentyl)propyl]benzoate Traditional Name: 4-[3-(2-cyano-3-keto-cyclopentyl)propyl]benzoic acid tert-butyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC(=O)C2C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC2CCC(=O)C2C#N

InChI

InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)16-9-7-14(8-10-16)5-4-6-15-11-12-18(22)17(15)13-21/h7-10,15,17H,4-6,11-12H2,1-3H3