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

Systemtic Name: 3-[3-[[(4-pyridin-3-ylphenyl)methylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[[4-(3-pyridyl)phenyl]methylamino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(3-pyridinyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyridin-3-ylphenyl)methylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[[4-(3-pyridyl)benzyl]amino]methyl]phenyl]propionic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c25-22(26)11-8-17-3-1-4-19(13-17)15-24-14-18-6-9-20(10-7-18)21-5-2-12-23-16-21/h1-7,9-10,12-13,16,24H,8,11,14-15H2,(H,25,26)