3-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-5-methyl-phenoxy)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(2-chloro-5-methylphenoxy)methyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-5-methylphenoxy)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(2-chloro-5-methyl-phenoxy)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C29H27ClO4 MolecularWeight: 474.97528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H27ClO4/c1-20-6-12-26(30)28(16-20)34-19-22-8-10-24(11-13-29(31)32)27(18-22)33-15-14-21-7-9-23-4-2-3-5-25(23)17-21/h2-10,12,16-18H,11,13-15,19H2,1H3,(H,31,32)