(4-ethoxy-4-oxidanylidene-butan-2-yl) 2-phenylquinoline-4-carboxylate

Systemtic Name: (4-ethoxy-4-oxidanylidene-butan-2-yl) 2-phenylquinoline-4-carboxylate Openeye Name: (3-ethoxy-1-methyl-3-oxo-propyl) 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (4-ethoxy-4-oxobutan-2-yl) ester IUPAC Name: (4-ethoxy-4-oxobutan-2-yl) 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (3-ethoxy-3-keto-1-methyl-propyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-3-26-21(24)13-15(2)27-22(25)18-14-20(16-9-5-4-6-10-16)23-19-12-8-7-11-17(18)19/h4-12,14-15H,3,13H2,1-2H3