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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=NN(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=NN(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

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