3-[4-[[(3-cyanophenyl)amino]methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[[(3-cyanophenyl)amino]methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(3-cyanoanilino)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(3-cyanoanilino)methyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-cyanoanilino)methyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(3-cyanoanilino)methyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=CC=CC(=C4)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CNC4=CC=CC(=C4)C#N)CCC(=O)O

InChI

InChI=1S/C29H26N2O3/c30-19-22-4-3-7-27(17-22)31-20-23-9-11-25(12-13-29(32)33)28(18-23)34-15-14-21-8-10-24-5-1-2-6-26(24)16-21/h1-11,16-18,31H,12-15,20H2,(H,32,33)