[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3N=C2C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3N=C2C)C)F

InChI

InChI=1S/C22H21FN2O3/c1-12-9-10-16(11-18(12)23)25-21(26)15(4)28-22(27)20-13(2)17-7-5-6-8-19(17)24-14(20)3/h5-11,15H,1-4H3,(H,25,26)