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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2CCC(CC2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2CCC(CC2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

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