[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C24H25FN2O3 MolecularWeight: 408.465303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(N=C3C=C(C=CC3=C2)F)C

InChI

InChI=1S/C24H25FN2O3/c1-5-14(2)19-8-6-7-9-21(19)27-23(28)16(4)30-24(29)20-12-17-10-11-18(25)13-22(17)26-15(20)3/h6-14,16H,5H2,1-4H3,(H,27,28)