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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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