(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H24N4O3/c1-4-5-12-26-20(23-24-25-26)14-29-22(28)18-9-7-6-8-17(18)21(27)19-13-15(2)10-11-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3