ethyl 6-[2-[4-(2,5-dimethylhexan-2-yl)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-(2,5-dimethylhexan-2-yl)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[4-(1,1,4-trimethylpentyl)phenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[4-(2,5-dimethylhexan-2-yl)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[4-(2,5-dimethylhexan-2-yl)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[4-(1,1,4-trimethylpentyl)phenyl]ethynyl]nicotinic acid ethyl ester Formula: C24H29NO2 MolecularWeight: 363.49256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=C(C=C2)C(C)(C)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=C(C=C2)C(C)(C)CCC(C)C

InChI

InChI=1S/C24H29NO2/c1-6-27-23(26)20-10-14-22(25-17-20)13-9-19-7-11-21(12-8-19)24(4,5)16-15-18(2)3/h7-8,10-12,14,17-18H,6,15-16H2,1-5H3