ethyl 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-isohexylphenyl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-isohexylphenyl)ethynyl]nicotinic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2/c1-4-25-22(24)20-13-15-21(23-16-20)14-12-19-10-8-18(9-11-19)7-5-6-17(2)3/h8-11,13,15-17H,4-7H2,1-3H3