3-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-7-fluoranyl-quinoline-2-carboxylic acid

Systemtic Name: 3-[(3-chloranyl-2,6-diethyl-phenyl)carbamoyl]-7-fluoranyl-quinoline-2-carboxylic acid Openeye Name: 3-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-7-fluoro-quinoline-2-carboxylic acid CAS Name: 3-[(3-chloro-2,6-diethylanilino)-oxomethyl]-7-fluoro-2-quinolinecarboxylic acid IUPAC Name: 3-[(3-chloro-2,6-diethylphenyl)carbamoyl]-7-fluoroquinoline-2-carboxylic acid Traditional Name: 3-[(3-chloro-2,6-diethyl-phenyl)carbamoyl]-7-fluoro-quinaldic acid Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C(=O)O

InChI

InChI=1S/C21H18ClFN2O3/c1-3-11-6-8-16(22)14(4-2)18(11)25-20(26)15-9-12-5-7-13(23)10-17(12)24-19(15)21(27)28/h5-10H,3-4H2,1-2H3,(H,25,26)(H,27,28)