[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C22H18N2O4/c1-3-12-23-21(25)14-28-22(26)18-13-20(15-8-10-16(27-2)11-9-15)24-19-7-5-4-6-17(18)19/h1,4-11,13H,12,14H2,2H3,(H,23,25)