ethyl 3-(6-dodec-2-ynylpyridin-2-yl)-2-(methoxycarbonylamino)-3-oxidanyl-propanoate

Systemtic Name: ethyl 3-(6-dodec-2-ynylpyridin-2-yl)-2-(methoxycarbonylamino)-3-oxidanyl-propanoate Openeye Name: ethyl 3-(6-dodec-2-ynyl-2-pyridyl)-3-hydroxy-2-(methoxycarbonylamino)propanoate CAS Name: 3-(6-dodec-2-ynyl-2-pyridinyl)-3-hydroxy-2-(methoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-dodec-2-ynylpyridin-2-yl)-3-hydroxy-2-(methoxycarbonylamino)propanoate Traditional Name: 2-(carbomethoxyamino)-3-(6-dodec-2-ynyl-2-pyridyl)-3-hydroxy-propionic acid ethyl ester Formula: C24H36N2O5 MolecularWeight: 432.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CCC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)OC)O

Isomeric SMILES

CCCCCCCCCC#CCC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)OC)O

InChI

InChI=1S/C24H36N2O5/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(25-19)22(27)21(23(28)31-5-2)26-24(29)30-3/h15,17-18,21-22,27H,4-12,16H2,1-3H3,(H,26,29)