3-[4-decoxy-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]carbonylbenzoic acid

Systemtic Name: 3-[4-decoxy-3-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]carbonylbenzoic acid Openeye Name: 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoic acid CAS Name: 3-[[4-decoxy-3-(2H-tetrazol-5-ylmethyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoic acid Traditional Name: 3-[4-decoxy-3-(2H-tetrazol-5-ylmethyl)benzoyl]benzoic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CC3=NNN=N3

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CC3=NNN=N3

InChI

InChI=1S/C26H32N4O4/c1-2-3-4-5-6-7-8-9-15-34-23-14-13-20(17-22(23)18-24-27-29-30-28-24)25(31)19-11-10-12-21(16-19)26(32)33/h10-14,16-17H,2-9,15,18H2,1H3,(H,32,33)(H,27,28,29,30)