2-[1-ethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]-2H-1,2,3,4-tetrazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]-2H-1,2,3,4-tetrazol-3-yl]ethanoic acid Openeye Name: 2-[1-ethyl-5-[3-(2-quinolylmethoxy)phenyl]-2H-tetrazol-3-yl]acetic acid CAS Name: 2-[1-ethyl-5-[3-(2-quinolinylmethoxy)phenyl]-2H-tetrazol-3-yl]acetic acid IUPAC Name: 2-[1-ethyl-5-[3-(quinolin-2-ylmethoxy)phenyl]-2H-tetrazol-3-yl]acetic acid Traditional Name: 2-[1-ethyl-5-[3-(2-quinolylmethoxy)phenyl]-2H-tetrazol-3-yl]acetic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(N1)CC(=O)O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C(=NN(N1)CC(=O)O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N5O3/c1-2-25-21(23-26(24-25)13-20(27)28)16-7-5-8-18(12-16)29-14-17-11-10-15-6-3-4-9-19(15)22-17/h3-12,24H,2,13-14H2,1H3,(H,27,28)