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

Systemtic Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]benzoic acid Openeye Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]benzoic acid CAS Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]benzoic acid IUPAC Name: 3-[[4-(cyanomethoxy)phenyl]methylamino]benzoic acid Traditional Name: 3-[[4-(cyanomethoxy)benzyl]amino]benzoic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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