[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(2-methylpropoxy)benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c1-19(2)18-33-24-13-9-22(10-14-24)28(32)34-25-15-11-23(12-16-25)31-27-17-26(29-20(3)30-27)21-7-5-4-6-8-21/h4-17,19H,18H2,1-3H3,(H,29,30,31)