ethyl (2S)-2-[(4-chlorophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[(4-chlorophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[(4-chlorophenyl)methyl]-3-oxo-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-chlorophenyl)methyl]-3-oxobutanoate Traditional Name: (2S)-2-(4-chlorobenzyl)-3-keto-butyric acid ethyl ester Formula: C13H15ClO3 MolecularWeight: 254.7094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)Cl)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC=C(C=C1)Cl)C(=O)C

InChI

InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3/t12-/m0/s1