dodec-9-ynyl pyridine-4-carboxylate

Systemtic Name: dodec-9-ynyl pyridine-4-carboxylate Openeye Name: dodec-9-ynyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl pyridine-4-carboxylate Traditional Name: isonicotinic acid dodec-9-ynyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)C1=CC=NC=C1

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC=NC=C1

InChI

InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21-18(20)17-12-14-19-15-13-17/h12-15H,2,5-11,16H2,1H3