2-[[3-(cyanomethoxy)phenyl]methylamino]benzoic acid

Systemtic Name: 2-[[3-(cyanomethoxy)phenyl]methylamino]benzoic acid Openeye Name: 2-[[3-(cyanomethoxy)phenyl]methylamino]benzoic acid CAS Name: 2-[[3-(cyanomethoxy)phenyl]methylamino]benzoic acid IUPAC Name: 2-[[3-(cyanomethoxy)phenyl]methylamino]benzoic acid Traditional Name: 2-[[3-(cyanomethoxy)benzyl]amino]benzoic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3/c17-8-9-21-13-5-3-4-12(10-13)11-18-15-7-2-1-6-14(15)16(19)20/h1-7,10,18H,9,11H2,(H,19,20)