[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O3/c1-13-17-5-3-4-6-18(17)24-14(2)20(13)21(26)27-12-19(25)23-11-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3,(H,23,25)