ethyl 2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(6-dodec-1-ynyl-2-pyridyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(6-dodec-1-ynyl-2-pyridinyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(6-dodec-1-ynyl-2-pyridyl)-3-hydroxy-propionic acid ethyl ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C24H36N2O4/c1-4-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(26-20)23(28)22(25-19(3)27)24(29)30-5-2/h15,17-18,22-23,28H,4-13H2,1-3H3,(H,25,27)