methyl 3-[4-[1-(4-carbamimidoylphenyl)-4-methyl-5-oxidanylidene-1,2,4-triazol-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-4-methyl-5-oxidanylidene-1,2,4-triazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-4-methyl-5-oxo-1,2,4-triazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-4-methyl-1,2,4-triazol-3-yl]phenyl]propionic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CN1C(=NN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C20H21N5O3/c1-24-19(15-6-3-13(4-7-15)5-12-17(26)28-2)23-25(20(24)27)16-10-8-14(9-11-16)18(21)22/h3-4,6-11H,5,12H2,1-2H3,(H3,21,22)