methyl 3-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]phenyl]propanoate CAS Name: 3-[4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]phenyl]propanoate Traditional Name: 3-[4-[[6-(4-amidinophenyl)pyridazin-3-yl]amino]phenyl]propionic acid methyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H21N5O2/c1-28-20(27)13-4-14-2-9-17(10-3-14)24-19-12-11-18(25-26-19)15-5-7-16(8-6-15)21(22)23/h2-3,5-12H,4,13H2,1H3,(H3,22,23)(H,24,26)