ditert-butyl 2-(3-oxidanylidene-1-phenyl-butyl)propanedioate

Systemtic Name: ditert-butyl 2-(3-oxidanylidene-1-phenyl-butyl)propanedioate Openeye Name: ditert-butyl 2-(3-oxo-1-phenyl-butyl)propanedioate CAS Name: 2-(3-oxo-1-phenylbutyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3-oxo-1-phenylbutyl)propanedioate Traditional Name: 2-(3-keto-1-phenyl-butyl)malonic acid ditert-butyl ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30O5/c1-14(22)13-16(15-11-9-8-10-12-15)17(18(23)25-20(2,3)4)19(24)26-21(5,6)7/h8-12,16-17H,13H2,1-7H3