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

Systemtic Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(2-pyrimidinyl)phenyl]methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pyrimidin-2-ylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(2-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=NC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)C3=NC=CC=N3)CC(=O)O

InChI

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