[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C27H20N4O2/c32-27(21-8-12-23(13-9-21)31-16-4-5-17-31)33-24-14-10-22(11-15-24)30-26-18-25(28-19-29-26)20-6-2-1-3-7-20/h1-19H,(H,28,29,30)