O4-tert-butyl O1-methyl (2S)-2-methyl-3-pyridin-2-ylcarbonyl-butanedioate

Systemtic Name: O4-tert-butyl O1-methyl (2S)-2-methyl-3-pyridin-2-ylcarbonyl-butanedioate Openeye Name: O1-tert-butyl O4-methyl (3S)-3-methyl-2-(pyridine-2-carbonyl)butanedioate CAS Name: (2S)-2-methyl-3-[oxo(2-pyridinyl)methyl]butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl (2S)-2-methyl-3-(pyridine-2-carbonyl)butanedioate Traditional Name: (3S)-3-methyl-2-picolinoyl-succinic acid O1-tert-butyl ester O4-methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC=N1)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

C[C@@H](C(C(=O)C1=CC=CC=N1)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C16H21NO5/c1-10(14(19)21-5)12(15(20)22-16(2,3)4)13(18)11-8-6-7-9-17-11/h6-10,12H,1-5H3/t10-,12?/m0/s1