O4-tert-butyl O1-ethyl 2-(phenylcarbonyl)butanedioate

Systemtic Name: O4-tert-butyl O1-ethyl 2-(phenylcarbonyl)butanedioate Openeye Name: O4-tert-butyl O1-ethyl 2-benzoylbutanedioate CAS Name: 2-benzoylbutanedioic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 2-benzoylbutanedioate Traditional Name: 2-benzoylsuccinic acid O4-tert-butyl ester O1-ethyl ester Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5/c1-5-21-16(20)13(11-14(18)22-17(2,3)4)15(19)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3