methyl 5-[(E)-2-(5-bromanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylate

Systemtic Name: methyl 5-[(E)-2-(5-bromanyl-2-phenylmethoxy-phenyl)ethenyl]pyrazine-2-carboxylate Openeye Name: methyl 5-[(E)-2-(2-benzyloxy-5-bromo-phenyl)vinyl]pyrazine-2-carboxylate CAS Name: 5-[(E)-2-(5-bromo-2-phenylmethoxyphenyl)ethenyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(5-bromo-2-phenylmethoxyphenyl)ethenyl]pyrazine-2-carboxylate Traditional Name: 5-[(E)-2-(2-benzoxy-5-bromo-phenyl)vinyl]pyrazinic acid methyl ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(N=C1)C=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NC=C(N=C1)/C=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O3/c1-26-21(25)19-13-23-18(12-24-19)9-7-16-11-17(22)8-10-20(16)27-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3/b9-7+