3-[5-chloranyl-2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[5-chloranyl-2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[5-chloro-2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[5-chloro-2-[2-(2-naphthalenyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[5-chloro-2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[5-chloro-2-[2-(2-naphthyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=C(C(=C3)CN4C=CC=N4)Cl)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=C(C(=C3)CN4C=CC=N4)Cl)CCC(=O)O

InChI

InChI=1S/C25H23ClN2O3/c26-23-15-21(8-9-25(29)30)24(16-22(23)17-28-12-3-11-27-28)31-13-10-18-6-7-19-4-1-2-5-20(19)14-18/h1-7,11-12,14-16H,8-10,13,17H2,(H,29,30)