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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

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