[2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-(isopropylcarbamoyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[2-[oxo-(propan-2-ylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-(isopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O4/c1-14(2)23-21(27)16-8-4-6-10-18(16)25-20(26)13-29-22(28)19-12-11-15-7-3-5-9-17(15)24-19/h3-12,14H,13H2,1-2H3,(H,23,27)(H,25,26)