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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-1,2,4-triazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-1,2,4-triazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-1,2,4-triazol-1-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-1,2,4-triazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-1,2,4-triazol-1-yl]phenyl]propionic acid methyl ester Formula: C19H19N5O2 MolecularWeight: 349.38646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=NC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=NC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O2/c1-26-17(25)11-4-13-2-9-16(10-3-13)24-12-22-19(23-24)15-7-5-14(6-8-15)18(20)21/h2-3,5-10,12H,4,11H2,1H3,(H3,20,21)