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

Systemtic Name: 3-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(5-pyrimidinyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyrimidin-5-ylphenyl)methylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[[4-(5-pyrimidyl)benzyl]amino]methyl]phenyl]propionic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c25-21(26)9-6-16-2-1-3-18(10-16)12-22-11-17-4-7-19(8-5-17)20-13-23-15-24-14-20/h1-5,7-8,10,13-15,22H,6,9,11-12H2,(H,25,26)