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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-4-yl]cyclohexyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-4-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-1,2,4-triazol-4-yl]cyclohexyl]propionic acid methyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2C=NN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2C=NN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H25N5O3/c1-27-17(25)11-4-13-2-7-15(8-3-13)23-12-22-24(19(23)26)16-9-5-14(6-10-16)18(20)21/h5-6,9-10,12-13,15H,2-4,7-8,11H2,1H3,(H3,20,21)