tert-butyl 5-oxidanylidene-5-(2-oxidanylidenecyclohexyl)-3-phenyl-pentanoate

Systemtic Name: tert-butyl 5-oxidanylidene-5-(2-oxidanylidenecyclohexyl)-3-phenyl-pentanoate Openeye Name: tert-butyl 5-oxo-5-(2-oxocyclohexyl)-3-phenyl-pentanoate CAS Name: 5-oxo-5-(2-oxocyclohexyl)-3-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxo-5-(2-oxocyclohexyl)-3-phenylpentanoate Traditional Name: 5-keto-5-(2-ketocyclohexyl)-3-phenyl-valeric acid tert-butyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CC(=O)C1CCCCC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC(CC(=O)C1CCCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O4/c1-21(2,3)25-20(24)14-16(15-9-5-4-6-10-15)13-19(23)17-11-7-8-12-18(17)22/h4-6,9-10,16-17H,7-8,11-14H2,1-3H3