3-[2-[2-[(2-methylphenyl)carbonylamino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[2-[(2-methylphenyl)carbonylamino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-[(2-methylbenzoyl)amino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-[[(2-methylphenyl)-oxomethyl]amino]ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-[(2-methylbenzoyl)amino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(o-toluoylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C23H25N3O4/c1-17-5-2-3-6-20(17)23(29)24-12-14-30-21-15-18(16-26-13-4-11-25-26)7-8-19(21)9-10-22(27)28/h2-8,11,13,15H,9-10,12,14,16H2,1H3,(H,24,29)(H,27,28)