1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid Openeye Name: 7-[2-(benzyloxycarbonylaminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-[2-(phenylmethoxycarbonylaminomethyl)-4-pyrimidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-[2-(phenylmethoxycarbonylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid Traditional Name: 7-[2-(benzyloxycarbonylaminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H20F2N4O5 MolecularWeight: 494.446906

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H20F2N4O5/c1-2-31-12-16(24(33)34)23(32)15-10-17(26)20(21(27)22(15)31)18-8-9-28-19(30-18)11-29-25(35)36-13-14-6-4-3-5-7-14/h3-10,12H,2,11,13H2,1H3,(H,29,35)(H,33,34)