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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropylcarbamoyl)-8-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropylcarbamoyl)quinoline-7-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(3-methoxypropylamino)-oxomethyl]-7-quinolinecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropylcarbamoyl)quinoline-7-carboxylic acid Traditional Name: 3-(4-fluorobenzyl)-8-hydroxy-5-(3-methoxypropylcarbamoyl)quinoline-7-carboxylic acid Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC(=C(C2=NC=C(C=C12)CC3=CC=C(C=C3)F)O)C(=O)O

Isomeric SMILES

COCCCNC(=O)C1=CC(=C(C2=NC=C(C=C12)CC3=CC=C(C=C3)F)O)C(=O)O

InChI

InChI=1S/C22H21FN2O5/c1-30-8-2-7-24-21(27)17-11-18(22(28)29)20(26)19-16(17)10-14(12-25-19)9-13-3-5-15(23)6-4-13/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,27)(H,28,29)