tert-butyl 2-[2-(4-chlorophenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[2-(4-chlorophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[2-(4-chlorophenyl)ethyl]-3-oxo-butanoate CAS Name: 2-[2-(4-chlorophenyl)ethyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-chlorophenyl)ethyl]-3-oxobutanoate Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-3-keto-butyric acid tert-butyl ester Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(CCC1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21ClO3/c1-11(18)14(15(19)20-16(2,3)4)10-7-12-5-8-13(17)9-6-12/h5-6,8-9,14H,7,10H2,1-4H3