dimethyl 2-[(3S)-5-oxidanylidene-1-phenyl-hexan-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(3S)-5-oxidanylidene-1-phenyl-hexan-3-yl]propanedioate Openeye Name: dimethyl 2-[(1S)-3-oxo-1-phenethyl-butyl]propanedioate CAS Name: 2-[(3S)-5-oxo-1-phenylhexan-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3S)-5-oxo-1-phenylhexan-3-yl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-phenethyl-butyl]malonic acid dimethyl ester Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C[C@H](CCC1=CC=CC=C1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H22O5/c1-12(18)11-14(10-9-13-7-5-4-6-8-13)15(16(19)21-2)17(20)22-3/h4-8,14-15H,9-11H2,1-3H3/t14-/m0/s1