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

Systemtic Name: 4-[[5-[3-[(2-methoxypyridin-4-yl)methylcarbamoyl]phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoic acid Openeye Name: 4-[[5-[3-[(2-methoxy-4-pyridyl)methylcarbamoyl]phenyl]tetrazol-2-yl]methyl]benzoic acid CAS Name: 4-[[5-[3-[[(2-methoxy-4-pyridinyl)methylamino]-oxomethyl]phenyl]-2-tetrazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[3-[(2-methoxypyridin-4-yl)methylcarbamoyl]phenyl]tetrazol-2-yl]methyl]benzoic acid Traditional Name: 4-[[5-[3-[(2-methoxy-4-pyridyl)methylcarbamoyl]phenyl]tetrazol-2-yl]methyl]benzoic acid Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CNC(=O)C2=CC=CC(=C2)C3=NN(N=N3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1)CNC(=O)C2=CC=CC(=C2)C3=NN(N=N3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20N6O4/c1-33-20-11-16(9-10-24-20)13-25-22(30)19-4-2-3-18(12-19)21-26-28-29(27-21)14-15-5-7-17(8-6-15)23(31)32/h2-12H,13-14H2,1H3,(H,25,30)(H,31,32)