5-(2-azanylethylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-oxidanyl-quinoline-7-carboxylic acid

Systemtic Name: 5-(2-azanylethylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 5-(2-aminoethylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-hydroxy-quinoline-7-carboxylic acid CAS Name: 5-[(2-aminoethylamino)-oxomethyl]-3-[(4-fluorophenyl)methyl]-8-hydroxy-7-quinolinecarboxylic acid IUPAC Name: 5-(2-aminoethylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylic acid Traditional Name: 5-(2-aminoethylcarbamoyl)-3-(4-fluorobenzyl)-8-hydroxy-quinoline-7-carboxylic acid Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=CC(=C3O)C(=O)O)C(=O)NCCN)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=CC(=C3O)C(=O)O)C(=O)NCCN)F

InChI

InChI=1S/C20H18FN3O4/c21-13-3-1-11(2-4-13)7-12-8-14-15(19(26)23-6-5-22)9-16(20(27)28)18(25)17(14)24-10-12/h1-4,8-10,25H,5-7,22H2,(H,23,26)(H,27,28)