2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[2-(2-naphthalenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)benzyl]benzoic acid Formula: C30H26N2O3 MolecularWeight: 462.53904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H26N2O3/c33-30(34)28-9-4-3-8-26(28)20-27-13-11-23(21-32-16-5-15-31-32)19-29(27)35-17-14-22-10-12-24-6-1-2-7-25(24)18-22/h1-13,15-16,18-19H,14,17,20-21H2,(H,33,34)