5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyrazine-2-carboxylic acid

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]pyrazine-2-carboxylic acid Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]pyrazine-2-carboxylic acid CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-pyrazinecarboxylic acid IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]pyrazine-2-carboxylic acid Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]pyrazinoic acid Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=NC=C(N=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CNC3=NC=C(N=C3)C(=O)O

InChI

InChI=1S/C19H16BrN3O3/c20-15-6-7-17(26-12-13-4-2-1-3-5-13)14(8-15)9-22-18-11-21-16(10-23-18)19(24)25/h1-8,10-11H,9,12H2,(H,22,23)(H,24,25)