3-[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazin-3-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazin-3-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridazin-3-yl]-3-oxo-propanoic acid CAS Name: 3-[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridazinyl]-3-oxopropanoic acid IUPAC Name: 3-[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridazin-3-yl]-3-oxopropanoic acid Traditional Name: 3-[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]pyridazin-3-yl]-3-keto-propionic acid Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O4/c1-2-27(22-11-9-19(25-26-22)20(28)13-23(29)30)14-17-12-18(24)8-10-21(17)31-15-16-6-4-3-5-7-16/h3-12H,2,13-15H2,1H3,(H,29,30)