ethyl 8-fluoranyl-1-[2-[[2-(3-methylbutylamino)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 8-fluoranyl-1-[2-[[2-(3-methylbutylamino)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-fluoro-1-[2-[2-(isopentylamino)anilino]-2-oxo-ethyl]-4-oxo-quinoline-3-carboxylate CAS Name: 8-fluoro-1-[2-[2-(3-methylbutylamino)anilino]-2-oxoethyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-1-[2-[2-(3-methylbutylamino)anilino]-2-oxoethyl]-4-oxoquinoline-3-carboxylate Traditional Name: 8-fluoro-1-[2-[2-(isoamylamino)anilino]-2-keto-ethyl]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C2F)CC(=O)NC3=CC=CC=C3NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C2F)CC(=O)NC3=CC=CC=C3NCCC(C)C

InChI

InChI=1S/C25H28FN3O4/c1-4-33-25(32)18-14-29(23-17(24(18)31)8-7-9-19(23)26)15-22(30)28-21-11-6-5-10-20(21)27-13-12-16(2)3/h5-11,14,16,27H,4,12-13,15H2,1-3H3,(H,28,30)