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

Systemtic Name: 3-[2-(2-naphthalen-2-yl-2-oxidanylidene-ethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)-2-oxo-ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)-2-oxoethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-yl-2-oxoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-keto-2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c28-23(22-9-8-19-4-1-2-5-21(19)15-22)17-31-24-14-18(16-27-13-3-12-26-27)6-7-20(24)10-11-25(29)30/h1-9,12-15H,10-11,16-17H2,(H,29,30)