O1-ethyl O3-pentyl 2-hexyl-2-pyridin-3-yl-propanedioate

Systemtic Name: O1-ethyl O3-pentyl 2-hexyl-2-pyridin-3-yl-propanedioate Openeye Name: O1-ethyl O3-pentyl 2-hexyl-2-(3-pyridyl)propanedioate CAS Name: 2-hexyl-2-(3-pyridinyl)propanedioic acid O1-ethyl ester O3-pentyl ester IUPAC Name: 1-O-ethyl 3-O-pentyl 2-hexyl-2-pyridin-3-ylpropanedioate Traditional Name: 2-hexyl-2-(3-pyridyl)malonic acid O1-amyl ester O3-ethyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CN=CC=C1)(C(=O)OCC)C(=O)OCCCCC

Isomeric SMILES

CCCCCCC(C1=CN=CC=C1)(C(=O)OCC)C(=O)OCCCCC

InChI

InChI=1S/C21H33NO4/c1-4-7-9-10-14-21(19(23)25-6-3,18-13-12-15-22-17-18)20(24)26-16-11-8-5-2/h12-13,15,17H,4-11,14,16H2,1-3H3