2-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethoxy]benzoic acid Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O4/c31-27(18-34-26-13-7-6-12-23(26)28(32)33)30-25(20-9-2-1-3-10-20)17-24(29-30)22-15-14-19-8-4-5-11-21(19)16-22/h1-16,25H,17-18H2,(H,32,33)