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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-3-ethyl-5-keto-1,2,4-triazol-4-yl]phenyl]propionic acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O3/c1-3-18-24-26(17-11-7-15(8-12-17)20(22)23)21(28)25(18)16-9-4-14(5-10-16)6-13-19(27)29-2/h4-5,7-12H,3,6,13H2,1-2H3,(H3,22,23)