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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-4-13-25-19(22-23-24-25)14-28-21(27)18-8-6-5-7-17(18)20(26)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3