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

Systemtic Name: 3-[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthylamino)-2-oxo-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenylamino)-2-oxoethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-keto-2-(2-naphthylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)COC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C25H23N3O4/c29-24(27-22-10-8-19-4-1-2-5-21(19)15-22)17-32-23-14-18(16-28-13-3-12-26-28)6-7-20(23)9-11-25(30)31/h1-8,10,12-15H,9,11,16-17H2,(H,27,29)(H,30,31)