[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)F

InChI

InChI=1S/C21H20FN3O4/c1-13-7-8-15(11-17(13)22)24-21(28)14(2)29-20(27)9-10-25-18-6-4-3-5-16(18)19(26)12-23-25/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,28)/t14-/m0/s1