[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: 7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

InChI

InChI=1S/C23H27FN2O4/c1-13(2)7-8-26-14(3)9-18(15(26)4)21(27)12-30-23(29)19-11-22(28)25-20-10-16(24)5-6-17(19)20/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,25,28)