(4-quinolin-3-ylphenyl)methyl 4-pyrimidin-5-ylbenzoate

Systemtic Name: (4-quinolin-3-ylphenyl)methyl 4-pyrimidin-5-ylbenzoate Openeye Name: [4-(3-quinolyl)phenyl]methyl 4-pyrimidin-5-ylbenzoate CAS Name: 4-(5-pyrimidinyl)benzoic acid [4-(3-quinolinyl)phenyl]methyl ester IUPAC Name: (4-quinolin-3-ylphenyl)methyl 4-pyrimidin-5-ylbenzoate Traditional Name: 4-(5-pyrimidyl)benzoic acid [4-(3-quinolyl)benzyl] ester Formula: C27H19N3O2 MolecularWeight: 417.45866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C3=CC=C(C=C3)COC(=O)C4=CC=C(C=C4)C5=CN=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C3=CC=C(C=C3)COC(=O)C4=CC=C(C=C4)C5=CN=CN=C5

InChI

InChI=1S/C27H19N3O2/c31-27(22-11-9-21(10-12-22)25-14-28-18-29-15-25)32-17-19-5-7-20(8-6-19)24-13-23-3-1-2-4-26(23)30-16-24/h1-16,18H,17H2