4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid Openeye Name: 4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid CAS Name: 4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid Traditional Name: 4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCCCCCN3C=NC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)OCCCCCCCCN3C=NC=N3)C(=O)O

InChI

InChI=1S/C23H27N3O3/c27-23(28)21-9-7-19(8-10-21)20-11-13-22(14-12-20)29-16-6-4-2-1-3-5-15-26-18-24-17-25-26/h7-14,17-18H,1-6,15-16H2,(H,27,28)