3-[4-[5-methyl-3-oxidanylidene-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-methyl-3-oxidanylidene-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-methyl-3-oxo-4-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-methyl-3-oxo-4-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-methyl-3-oxo-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-keto-5-methyl-4-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]phenyl]propionic acid Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)NN1C2=CC=C(C=C2)CCC(=O)O)CCC3CCNCC3

Isomeric SMILES

CC1N(C(=O)NN1C2=CC=C(C=C2)CCC(=O)O)CCC3CCNCC3

InChI

InChI=1S/C19H28N4O3/c1-14-22(13-10-16-8-11-20-12-9-16)19(26)21-23(14)17-5-2-15(3-6-17)4-7-18(24)25/h2-3,5-6,14,16,20H,4,7-13H2,1H3,(H,21,26)(H,24,25)