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

Systemtic Name: 3-[2-[2-(benzotriazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(benzotriazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-benzotriazolyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(benzotriazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(benzotriazol-2-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C21H21N5O3/c27-21(28)9-8-17-7-6-16(15-25-11-3-10-22-25)14-20(17)29-13-12-26-23-18-4-1-2-5-19(18)24-26/h1-7,10-11,14H,8-9,12-13,15H2,(H,27,28)