3-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methoxy]phenyl]propanoic acid Openeye Name: 3-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methoxy]phenyl]propanoic acid CAS Name: 3-[2-methyl-4-[(3-methyl-1-phenyl-4-pyrazolyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-methyl-4-[(3-methyl-1-phenylpyrazol-4-yl)methoxy]phenyl]propanoic acid Traditional Name: 3-[2-methyl-4-[(3-methyl-1-phenyl-pyrazol-4-yl)methoxy]phenyl]propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CN(N=C2C)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CN(N=C2C)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H22N2O3/c1-15-12-20(10-8-17(15)9-11-21(24)25)26-14-18-13-23(22-16(18)2)19-6-4-3-5-7-19/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,24,25)