ethyl 7-(3-acetamido-3-methyl-pyrrolidin-1-yl)-5-(1-cyclopropylethoxycarbonylamino)-6,8-bis(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-(3-acetamido-3-methyl-pyrrolidin-1-yl)-5-(1-cyclopropylethoxycarbonylamino)-6,8-bis(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-(3-acetamido-3-methyl-pyrrolidin-1-yl)-5-(1-cyclopropylethoxycarbonylamino)-6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-(3-acetamido-3-methyl-1-pyrrolidinyl)-5-[[1-cyclopropylethoxy(oxo)methyl]amino]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-acetamido-3-methylpyrrolidin-1-yl)-5-(1-cyclopropylethoxycarbonylamino)-6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-(3-acetamido-3-methyl-pyrrolidino)-5-(1-cyclopropylethoxycarbonylamino)-6,8-difluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H30F2N4O6 MolecularWeight: 520.525706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C(=C(C(=C2F)N3CCC(C3)(C)NC(=O)C)F)NC(=O)OC(C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C(=C(C(=C2F)N3CCC(C3)(C)NC(=O)C)F)NC(=O)OC(C)C4CC4

InChI

InChI=1S/C25H30F2N4O6/c1-5-36-23(34)15-10-28-19-16(22(15)33)20(29-24(35)37-12(2)14-6-7-14)18(27)21(17(19)26)31-9-8-25(4,11-31)30-13(3)32/h10,12,14H,5-9,11H2,1-4H3,(H,28,33)(H,29,35)(H,30,32)