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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3/c1-2-30-22-10-6-9-19(15-22)25(29)31-21-13-11-20(12-14-21)28-24-16-23(26-17-27-24)18-7-4-3-5-8-18/h3-17H,2H2,1H3,(H,26,27,28)