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

Systemtic Name: 2-[3-[4-(2H-1,2,3-triazol-4-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-[4-(2H-triazol-4-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[1-oxo-3-[4-(2H-triazol-4-yl)phenyl]propyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-[4-(2H-triazol-4-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-[4-(2H-triazol-4-yl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=NNN=C3

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=NNN=C3

InChI

InChI=1S/C18H20N4O3/c23-17(20-15-4-2-1-3-14(15)18(24)25)10-7-12-5-8-13(9-6-12)16-11-19-22-21-16/h5-6,8-9,11H,1-4,7,10H2,(H,20,23)(H,24,25)(H,19,21,22)