5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyrazine-2-carboxylic acid

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyrazine-2-carboxylic acid Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyrazine-2-carboxylic acid CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-pyrazinecarboxylic acid IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyrazine-2-carboxylic acid Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]pyrazinoic acid Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(N=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(N=C3)C(=O)O

InChI

InChI=1S/C21H20BrN3O3/c1-2-25(20-12-23-18(11-24-20)21(26)27)13-16-10-17(22)8-9-19(16)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H,26,27)