3-[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)propanoic acid CAS Name: 3-[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 3-(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)propionic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C18H17N3O2/c22-17(23)12-11-16-19-20-18(15-9-5-2-6-10-15)21(16)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)