propan-2-yl 3-[2-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1,2,3,4-tetrazol-5-yl]benzoate

Systemtic Name: propan-2-yl 3-[2-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1,2,3,4-tetrazol-5-yl]benzoate Openeye Name: isopropyl 3-[2-[(5-acetyl-2-methoxy-phenyl)methyl]tetrazol-5-yl]benzoate CAS Name: 3-[2-[(5-acetyl-2-methoxyphenyl)methyl]-5-tetrazolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-[(5-acetyl-2-methoxyphenyl)methyl]tetrazol-5-yl]benzoate Traditional Name: 3-[2-(5-acetyl-2-methoxy-benzyl)tetrazol-5-yl]benzoic acid isopropyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC(=C1)C2=NN(N=N2)CC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC(=C1)C2=NN(N=N2)CC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H22N4O4/c1-13(2)29-21(27)17-7-5-6-16(11-17)20-22-24-25(23-20)12-18-10-15(14(3)26)8-9-19(18)28-4/h5-11,13H,12H2,1-4H3