8-[[2,6-bis(chloranyl)phenyl]carbonylamino]-4-morpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-[[2,6-bis(chloranyl)phenyl]carbonylamino]-4-morpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 8-[(2,6-dichlorobenzoyl)amino]-4-morpholino-quinoline-3-carboxylic acid CAS Name: 8-[[(2,6-dichlorophenyl)-oxomethyl]amino]-4-(4-morpholinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-[(2,6-dichlorobenzoyl)amino]-4-morpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 8-[(2,6-dichlorobenzoyl)amino]-4-morpholino-quinoline-3-carboxylic acid Formula: C21H17Cl2N3O4 MolecularWeight: 446.28338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C=CC=C(C3=NC=C2C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1COCCN1C2=C3C=CC=C(C3=NC=C2C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O4/c22-14-4-2-5-15(23)17(14)20(27)25-16-6-1-3-12-18(16)24-11-13(21(28)29)19(12)26-7-9-30-10-8-26/h1-6,11H,7-10H2,(H,25,27)(H,28,29)