[(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate

Systemtic Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate Openeye Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] ester IUPAC Name: [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [(6Z)-1-(2-hydroxyethyl)-1-azacyclodec-6-en-3,8-diyn-5-yl] ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1C#CC=CC(C#CCN1CCO)OC(=O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1C#C/C=C\C(C#CCN1CCO)OC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C20H17N3O3/c24-14-13-23-11-5-1-2-7-16(8-6-12-23)26-20(25)19-15-21-17-9-3-4-10-18(17)22-19/h2-4,7,9-10,15-16,24H,11-14H2/b7-2-