4-[3-(4-cyano-2-phenylmethoxy-phenyl)propyl]benzoic acid

Systemtic Name: 4-[3-(4-cyano-2-phenylmethoxy-phenyl)propyl]benzoic acid Openeye Name: 4-[3-(2-benzyloxy-4-cyano-phenyl)propyl]benzoic acid CAS Name: 4-[3-(4-cyano-2-phenylmethoxyphenyl)propyl]benzoic acid IUPAC Name: 4-[3-(4-cyano-2-phenylmethoxyphenyl)propyl]benzoic acid Traditional Name: 4-[3-(2-benzoxy-4-cyano-phenyl)propyl]benzoic acid Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#N)CCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C#N)CCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H21NO3/c25-16-20-11-12-21(23(15-20)28-17-19-5-2-1-3-6-19)8-4-7-18-9-13-22(14-10-18)24(26)27/h1-3,5-6,9-15H,4,7-8,17H2,(H,26,27)