1-ethyl-6-fluoranyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid Openeye Name: 7-[2-(benzyloxycarbonylaminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[2-(phenylmethoxycarbonylaminomethyl)-4-pyrimidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid Traditional Name: 7-[2-(benzyloxycarbonylaminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H21FN4O5 MolecularWeight: 476.456443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC(=NC=C3)CNC(=O)OCC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC(=NC=C3)CNC(=O)OCC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C25H21FN4O5/c1-2-30-13-18(24(32)33)23(31)17-10-19(26)16(11-21(17)30)20-8-9-27-22(29-20)12-28-25(34)35-14-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,28,34)(H,32,33)