[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C28H22N4O2 MolecularWeight: 446.49988

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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)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O2/c1-20-29-26(21-7-3-2-4-8-21)19-27(30-20)31-23-11-15-25(16-12-23)34-28(33)22-9-13-24(14-10-22)32-17-5-6-18-32/h2-19H,1H3,(H,29,30,31)