[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,6-bis(chloranyl)-2-methoxy-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,6-bis(chloranyl)-2-methoxy-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxy-benzoate CAS Name: 3,6-dichloro-2-methoxybenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,6-dichloro-2-methoxybenzoate Traditional Name: 3,6-dichloro-2-methoxy-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H17Cl2N3O3 MolecularWeight: 466.31608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C24H17Cl2N3O3/c1-31-23-19(26)12-11-18(25)22(23)24(30)32-17-9-7-16(8-10-17)29-21-13-20(27-14-28-21)15-5-3-2-4-6-15/h2-14H,1H3,(H,27,28,29)