4-phenyl-3-[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]benzoic acid

Systemtic Name: 4-phenyl-3-[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]benzoic acid Openeye Name: 3-[2-(1-methyl-1-phenyl-ethyl)tetrazol-5-yl]-4-phenyl-benzoic acid CAS Name: 4-phenyl-3-[2-(2-phenylpropan-2-yl)-5-tetrazolyl]benzoic acid IUPAC Name: 4-phenyl-3-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]benzoic acid Traditional Name: 3-(2-cumyltetrazol-5-yl)-4-phenyl-benzoic acid Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)C3=C(C=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)C3=C(C=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2/c1-23(2,18-11-7-4-8-12-18)27-25-21(24-26-27)20-15-17(22(28)29)13-14-19(20)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,28,29)