3-[5-chloranyl-2-[3-cyano-5-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid

Systemtic Name: 3-[5-chloranyl-2-[3-cyano-5-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid Openeye Name: 3-[2-[3-(2-benzyloxyphenyl)-5-cyano-phenyl]-5-chloro-phenyl]propanoic acid CAS Name: 3-[5-chloro-2-[3-cyano-5-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid IUPAC Name: 3-[5-chloro-2-[3-cyano-5-(2-phenylmethoxyphenyl)phenyl]phenyl]propanoic acid Traditional Name: 3-[2-[3-(2-benzoxyphenyl)-5-cyano-phenyl]-5-chloro-phenyl]propionic acid Formula: C29H22ClNO3 MolecularWeight: 467.94288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC(=CC(=C3)C4=C(C=C(C=C4)Cl)CCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC(=CC(=C3)C4=C(C=C(C=C4)Cl)CCC(=O)O)C#N

InChI

InChI=1S/C29H22ClNO3/c30-25-11-12-26(22(17-25)10-13-29(32)33)23-14-21(18-31)15-24(16-23)27-8-4-5-9-28(27)34-19-20-6-2-1-3-7-20/h1-9,11-12,14-17H,10,13,19H2,(H,32,33)