dimethyl (2S,4S)-2,4-diethanoyl-3-pyridin-4-yl-pentanedioate

Systemtic Name: dimethyl (2S,4S)-2,4-diethanoyl-3-pyridin-4-yl-pentanedioate Openeye Name: dimethyl (2S,4S)-2,4-diacetyl-3-(4-pyridyl)pentanedioate CAS Name: (2S,4S)-2,4-diacetyl-3-pyridin-4-ylpentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,4S)-2,4-diacetyl-3-pyridin-4-ylpentanedioate Traditional Name: (2S,4S)-2,4-diacetyl-3-(4-pyridyl)glutaric acid dimethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-9(18)12(15(20)22-3)14(11-5-7-17-8-6-11)13(10(2)19)16(21)23-4/h5-8,12-14H,1-4H3/t12-,13-/m1/s1