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

Systemtic Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]propanoic acid CAS Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-(cyanomethoxy)benzyl]amino]propionic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCC(=O)O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1CNCCC(=O)O)OCC#N

InChI

InChI=1S/C12H14N2O3/c13-6-8-17-11-3-1-10(2-4-11)9-14-7-5-12(15)16/h1-4,14H,5,7-9H2,(H,15,16)