ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridazine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridazine-3-carboxylate Openeye Name: ethyl 6-[(2-benzyloxy-5-bromo-phenyl)methyl-tert-butoxycarbonyl-amino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridazine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-tert-butoxycarbonyl-amino]pyridazine-3-carboxylic acid ethyl ester Formula: C26H28BrN3O5 MolecularWeight: 542.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(C=C1)N(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=NN=C(C=C1)N(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H28BrN3O5/c1-5-33-24(31)21-12-14-23(29-28-21)30(25(32)35-26(2,3)4)16-19-15-20(27)11-13-22(19)34-17-18-9-7-6-8-10-18/h6-15H,5,16-17H2,1-4H3