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

Systemtic Name: 3-[4-[(3-cyanophenoxy)methyl]-2-phenethyloxy-phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanophenoxy)methyl]-2-phenethyloxy-phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanophenoxy)methyl]-2-phenethyloxyphenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanophenoxy)methyl]-2-phenethyloxyphenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanophenoxy)methyl]-2-phenethyloxy-phenyl]propionic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)COC3=CC=CC(=C3)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)COC3=CC=CC(=C3)C#N)CCC(=O)O

InChI

InChI=1S/C25H23NO4/c26-17-20-7-4-8-23(15-20)30-18-21-9-10-22(11-12-25(27)28)24(16-21)29-14-13-19-5-2-1-3-6-19/h1-10,15-16H,11-14,18H2,(H,27,28)