[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-phenylquinoline-4-carboxylate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C28H22N4O2 MolecularWeight: 446.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C28H22N4O2/c1-18-16-19(2)30-28(29-18)31-21-12-14-22(15-13-21)34-27(33)24-17-26(20-8-4-3-5-9-20)32-25-11-7-6-10-23(24)25/h3-17H,1-2H3,(H,29,30,31)