9-[1-(3-phenylmethoxypropyl)-1,2,3-triazol-4-yl]nonanoic acid

Systemtic Name: 9-[1-(3-phenylmethoxypropyl)-1,2,3-triazol-4-yl]nonanoic acid Openeye Name: 9-[1-(3-benzyloxypropyl)triazol-4-yl]nonanoic acid CAS Name: 9-[1-(3-phenylmethoxypropyl)-4-triazolyl]nonanoic acid IUPAC Name: 9-[1-(3-phenylmethoxypropyl)triazol-4-yl]nonanoic acid Traditional Name: 9-[1-(3-benzoxypropyl)triazol-4-yl]pelargonic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCN2C=C(N=N2)CCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCN2C=C(N=N2)CCCCCCCCC(=O)O

InChI

InChI=1S/C21H31N3O3/c25-21(26)14-9-4-2-1-3-8-13-20-17-24(23-22-20)15-10-16-27-18-19-11-6-5-7-12-19/h5-7,11-12,17H,1-4,8-10,13-16,18H2,(H,25,26)