[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic 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)CCC2=NC3=CC=CC=C3C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3C=C2)F

InChI

InChI=1S/C22H21FN2O3/c1-14-7-9-18(13-19(14)23)25-22(27)15(2)28-21(26)12-11-17-10-8-16-5-3-4-6-20(16)24-17/h3-10,13,15H,11-12H2,1-2H3,(H,25,27)