methyl 4-[1-azanyl-3-oxidanylidene-3-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]propyl]benzoate

Systemtic Name: methyl 4-[1-azanyl-3-oxidanylidene-3-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]propyl]benzoate Openeye Name: methyl 4-[1-amino-3-oxo-3-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]propyl]benzoate CAS Name: 4-[1-amino-3-oxo-3-[2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenoxy]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-amino-3-oxo-3-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]propyl]benzoate Traditional Name: 4-[1-amino-3-keto-3-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]propyl]benzoic acid methyl ester Formula: C28H25N5O5 MolecularWeight: 511.5286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(CC(=O)OC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C28H25N5O5/c1-37-27(35)20-13-11-18(12-14-20)21(29)17-26(34)38-24-10-6-5-9-23(24)30-28(36)31-25-16-15-22(32-33-25)19-7-3-2-4-8-19/h2-16,21H,17,29H2,1H3,(H2,30,31,33,36)