2-acetamido-3-(6-dec-1-ynylquinolin-2-yl)-3-oxidanyl-propanoate

Systemtic Name: 2-acetamido-3-(6-dec-1-ynylquinolin-2-yl)-3-oxidanyl-propanoate Openeye Name: 2-acetamido-3-(6-dec-1-ynyl-2-quinolyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(6-dec-1-ynyl-2-quinolinyl)-3-hydroxypropanoate IUPAC Name: 2-acetamido-3-(6-dec-1-ynylquinolin-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(6-dec-1-ynyl-2-quinolyl)-3-hydroxy-propionate Formula: C24H29N2O4- MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N=C(C=C2)C(C(C(=O)[O-])NC(=O)C)O

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N=C(C=C2)C(C(C(=O)[O-])NC(=O)C)O

InChI

InChI=1S/C24H30N2O4/c1-3-4-5-6-7-8-9-10-11-18-12-14-20-19(16-18)13-15-21(26-20)23(28)22(24(29)30)25-17(2)27/h12-16,22-23,28H,3-9H2,1-2H3,(H,25,27)(H,29,30)/p-1