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

Systemtic Name: 2-methyl-3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid Openeye Name: 2-methyl-3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid CAS Name: 2-methyl-3-[3-[[[4-(1-pyrazolyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 2-methyl-3-[3-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]phenyl]propanoic acid Traditional Name: 2-methyl-3-[3-[[(4-pyrazol-1-ylbenzyl)amino]methyl]phenyl]propionic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)CNCC2=CC=C(C=C2)N3C=CC=N3)C(=O)O

Isomeric SMILES

CC(CC1=CC(=CC=C1)CNCC2=CC=C(C=C2)N3C=CC=N3)C(=O)O

InChI

InChI=1S/C21H23N3O2/c1-16(21(25)26)12-18-4-2-5-19(13-18)15-22-14-17-6-8-20(9-7-17)24-11-3-10-23-24/h2-11,13,16,22H,12,14-15H2,1H3,(H,25,26)