O2,O2-diethyl O1-pyridin-2-yl 5-cyclohexylpent-4-yne-1,2,2-tricarboxylate

Systemtic Name: O2,O2-diethyl O1-pyridin-2-yl 5-cyclohexylpent-4-yne-1,2,2-tricarboxylate Openeye Name: O2,O2-diethyl O1-(2-pyridyl) 5-cyclohexylpent-4-yne-1,2,2-tricarboxylate CAS Name: 5-cyclohexyl-4-pentyne-1,2,2-tricarboxylic acid O2,O2-diethyl ester O1-(2-pyridinyl) ester IUPAC Name: 2-O,2-O-diethyl 1-O-pyridin-2-yl 5-cyclohexylpent-4-yne-1,2,2-tricarboxylate Traditional Name: 5-cyclohexylpent-4-yne-1,2,2-tricarboxylic acid O2,O2-diethyl ester O1-(2-pyridyl) ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC1CCCCC1)(CC(=O)OC2=CC=CC=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC1CCCCC1)(CC(=O)OC2=CC=CC=N2)C(=O)OCC

InChI

InChI=1S/C23H29NO6/c1-3-28-21(26)23(22(27)29-4-2,15-10-13-18-11-6-5-7-12-18)17-20(25)30-19-14-8-9-16-24-19/h8-9,14,16,18H,3-7,11-12,15,17H2,1-2H3