[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN3O4/c1-14-18-5-3-4-6-19(18)26-15(2)22(14)23(30)31-13-21(29)27(12-11-20(25)28)17-9-7-16(24)8-10-17/h3-10H,11-13H2,1-2H3,(H2,25,28)