2-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(5-pyrimidinyl)phenyl]methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(5-pyrimidyl)benzyl]amino]methyl]phenyl]acetic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)C3=CN=CN=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)C3=CN=CN=C3)CC(=O)O

InChI

InChI=1S/C20H19N3O2/c24-20(25)9-16-2-1-3-17(8-16)11-21-10-15-4-6-18(7-5-15)19-12-22-14-23-13-19/h1-8,12-14,21H,9-11H2,(H,24,25)