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

Systemtic Name: tert-butyl 4-[4-(2-cyano-3-oxidanylidene-cyclopentyl)butan-2-yl]benzoate Openeye Name: tert-butyl 4-[3-(2-cyano-3-oxo-cyclopentyl)-1-methyl-propyl]benzoate CAS Name: 4-[4-(2-cyano-3-oxocyclopentyl)butan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-cyano-3-oxocyclopentyl)butan-2-yl]benzoate Traditional Name: 4-[3-(2-cyano-3-keto-cyclopentyl)-1-methyl-propyl]benzoic acid tert-butyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-14(5-6-16-11-12-19(23)18(16)13-22)15-7-9-17(10-8-15)20(24)25-21(2,3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3