ethyl 8-fluoranyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 8-fluoranyl-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-fluoro-1-[(1-isopentylbenzimidazol-2-yl)methyl]-4-oxo-quinoline-3-carboxylate CAS Name: 8-fluoro-1-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-4-oxoquinoline-3-carboxylate Traditional Name: 8-fluoro-1-[(1-isoamylbenzimidazol-2-yl)methyl]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C2F)CC3=NC4=CC=CC=C4N3CCC(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC=C2F)CC3=NC4=CC=CC=C4N3CCC(C)C

InChI

InChI=1S/C25H26FN3O3/c1-4-32-25(31)18-14-28(23-17(24(18)30)8-7-9-19(23)26)15-22-27-20-10-5-6-11-21(20)29(22)13-12-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3