ethyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazine-3-carboxylate

Systemtic Name: ethyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazine-3-carboxylate Openeye Name: ethyl 4-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(tert-butoxycarbonylamino)-1H-pyrazine-3-carboxylate CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-pyrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazine-3-carboxylate Traditional Name: 4-(2-benzoxy-5-bromo-benzyl)-6-(tert-butoxycarbonylamino)-1H-pyrazine-3-carboxylic acid ethyl ester Formula: C26H30BrN3O5 MolecularWeight: 544.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CNC(=CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H30BrN3O5/c1-5-33-24(31)21-14-28-23(29-25(32)35-26(2,3)4)16-30(21)15-19-13-20(27)11-12-22(19)34-17-18-9-7-6-8-10-18/h6-14,16,28H,5,15,17H2,1-4H3,(H,29,32)