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

Systemtic Name: 3-[2-(4-methyl-2-naphthalen-2-yl-pentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[4-methyl-2-(2-naphthyl)pentoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[4-methyl-2-(2-naphthalenyl)pentoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(4-methyl-2-naphthalen-2-ylpentoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[4-methyl-2-(2-naphthyl)pentoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CCC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(COC1=C(C=CC(=C1)CN2C=CC=N2)CCC(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H32N2O3/c1-21(2)16-27(26-11-10-23-6-3-4-7-25(23)18-26)20-34-28-17-22(19-31-15-5-14-30-31)8-9-24(28)12-13-29(32)33/h3-11,14-15,17-18,21,27H,12-13,16,19-20H2,1-2H3,(H,32,33)