(1-azanyl-1-oxidanylidene-propan-2-yl) 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)N)C

InChI

InChI=1S/C21H20N2O3/c1-12-8-9-15(13(2)10-12)19-11-17(21(25)26-14(3)20(22)24)16-6-4-5-7-18(16)23-19/h4-11,14H,1-3H3,(H2,22,24)