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

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

Isomeric SMILES

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

InChI

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