ethyl 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(3-dodec-1-ynylphenyl)-3-hydroxy-propionic acid ethyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO4/c1-4-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)24(28)23(26-20(3)27)25(29)30-5-2/h15,17-19,23-24,28H,4-13H2,1-3H3,(H,26,27)