O1-methyl O5-(2-pyridin-2-ylethyl) 4-ethyl-2,2,4-trimethyl-pentanedioate

Systemtic Name: O1-methyl O5-(2-pyridin-2-ylethyl) 4-ethyl-2,2,4-trimethyl-pentanedioate Openeye Name: O1-methyl O5-[2-(2-pyridyl)ethyl] 4-ethyl-2,2,4-trimethyl-pentanedioate CAS Name: 4-ethyl-2,2,4-trimethylpentanedioic acid O1-methyl ester O5-[2-(2-pyridinyl)ethyl] ester IUPAC Name: 1-O-methyl 5-O-(2-pyridin-2-ylethyl) 4-ethyl-2,2,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-methyl ester O5-[2-(2-pyridyl)ethyl] ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCC1=CC=CC=N1

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCC1=CC=CC=N1

InChI

InChI=1S/C18H27NO4/c1-6-18(4,13-17(2,3)15(20)22-5)16(21)23-12-10-14-9-7-8-11-19-14/h7-9,11H,6,10,12-13H2,1-5H3