2-[[4-(benzotriazol-1-ylmethoxy)phenyl]methyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid

Systemtic Name: 2-[[4-(benzotriazol-1-ylmethoxy)phenyl]methyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid Openeye Name: 2-[[4-(benzotriazol-1-ylmethoxy)phenyl]methyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid CAS Name: 2-[[4-(1-benzotriazolylmethoxy)phenyl]methyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid IUPAC Name: 2-[[4-(benzotriazol-1-ylmethoxy)phenyl]methyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propanoic acid Traditional Name: 2-[4-(benzotriazol-1-ylmethoxy)benzyl]-3-ethoxy-2-(1H-pyrazol-4-yl)propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3N=N2)(C4=CNN=C4)C(=O)O

Isomeric SMILES

CCOCC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3N=N2)(C4=CNN=C4)C(=O)O

InChI

InChI=1S/C22H23N5O4/c1-2-30-14-22(21(28)29,17-12-23-24-13-17)11-16-7-9-18(10-8-16)31-15-27-20-6-4-3-5-19(20)25-26-27/h3-10,12-13H,2,11,14-15H2,1H3,(H,23,24)(H,28,29)