3-[4-[(4-cyanophenyl)methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-cyanophenyl)methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4-cyanophenyl)methylamino]phenyl]propanoic acid CAS Name: 3-[4-[(4-cyanophenyl)methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-cyanophenyl)methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-cyanobenzyl)amino]phenyl]propionic acid Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H16N2O2/c18-11-14-1-3-15(4-2-14)12-19-16-8-5-13(6-9-16)7-10-17(20)21/h1-6,8-9,19H,7,10,12H2,(H,20,21)