3-[4-[(2-chloranyl-4-methyl-phenoxy)methyl]-2-phenethyloxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-4-methyl-phenoxy)methyl]-2-phenethyloxy-phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-4-methyl-phenoxy)methyl]-2-phenethyloxy-phenyl]propanoic acid CAS Name: 3-[4-[(2-chloro-4-methylphenoxy)methyl]-2-phenethyloxyphenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-4-methylphenoxy)methyl]-2-phenethyloxyphenyl]propanoic acid Traditional Name: 3-[4-[(2-chloro-4-methyl-phenoxy)methyl]-2-phenethyloxy-phenyl]propionic acid Formula: C25H25ClO4 MolecularWeight: 424.9166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClO4/c1-18-7-11-23(22(26)15-18)30-17-20-8-9-21(10-12-25(27)28)24(16-20)29-14-13-19-5-3-2-4-6-19/h2-9,11,15-16H,10,12-14,17H2,1H3,(H,27,28)