2-[5-(4-heptoxyphenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-heptoxyphenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-heptoxyphenyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-(4-heptoxyphenyl)-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(4-heptoxyphenyl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-(4-heptoxyphenyl)tetrazol-1-yl]acetic acid Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

InChI

InChI=1S/C16H22N4O3/c1-2-3-4-5-6-11-23-14-9-7-13(8-10-14)16-17-18-19-20(16)12-15(21)22/h7-10H,2-6,11-12H2,1H3,(H,21,22)