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

Systemtic Name: 3-[2-[2-(2-phenylethanoylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-[(2-phenylacetyl)amino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-[(1-oxo-2-phenylethyl)amino]ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-[(2-phenylacetyl)amino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-[(2-phenylacetyl)amino]ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C23H25N3O4/c27-22(16-18-5-2-1-3-6-18)24-12-14-30-21-15-19(17-26-13-4-11-25-26)7-8-20(21)9-10-23(28)29/h1-8,11,13,15H,9-10,12,14,16-17H2,(H,24,27)(H,28,29)