3-[3-[5-[2-(oxan-2-yloxy)ethyl]-1,2,3-triazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[5-[2-(oxan-2-yloxy)ethyl]-1,2,3-triazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[5-(2-tetrahydropyran-2-yloxyethyl)triazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[5-[2-(2-oxanyloxy)ethyl]-1-triazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[5-[2-(oxan-2-yloxy)ethyl]triazol-1-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[5-(2-tetrahydropyran-2-yloxyethyl)triazol-1-yl]phenyl]propionic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCC2=CN=NN2C3=CC=CC(=C3)C(=O)CC(=O)O

Isomeric SMILES

C1CCOC(C1)OCCC2=CN=NN2C3=CC=CC(=C3)C(=O)CC(=O)O

InChI

InChI=1S/C18H21N3O5/c22-16(11-17(23)24)13-4-3-5-14(10-13)21-15(12-19-20-21)7-9-26-18-6-1-2-8-25-18/h3-5,10,12,18H,1-2,6-9,11H2,(H,23,24)