methyl 3-[4-[1-(4-carbamimidoylphenyl)pyrazol-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)pyrazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)pyrazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)pyrazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)pyrazol-3-yl]phenyl]propionic acid methyl ester Formula: C20H20N4O2 MolecularWeight: 348.3984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c1-26-19(25)11-4-14-2-5-15(6-3-14)18-12-13-24(23-18)17-9-7-16(8-10-17)20(21)22/h2-3,5-10,12-13H,4,11H2,1H3,(H3,21,22)