O1-ethyl O3-(5-pyridin-3-ylpentyl) 2-(5-cyanopentyl)-2-ethyl-propanedioate

Systemtic Name: O1-ethyl O3-(5-pyridin-3-ylpentyl) 2-(5-cyanopentyl)-2-ethyl-propanedioate Openeye Name: O1-ethyl O3-[5-(3-pyridyl)pentyl] 2-(5-cyanopentyl)-2-ethyl-propanedioate CAS Name: 2-(5-cyanopentyl)-2-ethylpropanedioic acid O1-ethyl ester O3-[5-(3-pyridinyl)pentyl] ester IUPAC Name: 1-O-ethyl 3-O-(5-pyridin-3-ylpentyl) 2-(5-cyanopentyl)-2-ethylpropanedioate Traditional Name: 2-(5-cyanopentyl)-2-ethyl-malonic acid O1-ethyl ester O3-[5-(3-pyridyl)pentyl] ester Formula: C23H34N2O4 MolecularWeight: 402.52706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCC#N)(C(=O)OCC)C(=O)OCCCCCC1=CN=CC=C1

Isomeric SMILES

CCC(CCCCCC#N)(C(=O)OCC)C(=O)OCCCCCC1=CN=CC=C1

InChI

InChI=1S/C23H34N2O4/c1-3-23(21(26)28-4-2,15-9-5-6-10-16-24)22(27)29-18-11-7-8-13-20-14-12-17-25-19-20/h12,14,17,19H,3-11,13,15,18H2,1-2H3