[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C29H21N3O3 MolecularWeight: 459.49534

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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(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H21N3O3/c33-29(22-10-7-13-26(18-22)34-24-11-5-2-6-12-24)35-25-16-14-23(15-17-25)32-28-19-27(30-20-31-28)21-8-3-1-4-9-21/h1-20H,(H,30,31,32)