2-[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=NN(C=N2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=NN(C=N2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H20N4O4/c23-13-7-5-12(6-8-13)22-11-19-16(21-22)9-10-17(24)20-15-4-2-1-3-14(15)18(25)26/h5-8,11,23H,1-4,9-10H2,(H,20,24)(H,25,26)