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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [3-[(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=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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