3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(1-pyrazolyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-pyrazol-1-ylbenzyl)amino]methyl]phenyl]propionic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)N3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)N3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C20H21N3O2/c24-20(25)10-7-16-3-1-4-18(13-16)15-21-14-17-5-8-19(9-6-17)23-12-2-11-22-23/h1-6,8-9,11-13,21H,7,10,14-15H2,(H,24,25)