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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c1-2-3-12-25-18(22-23-24-25)13-28-20(27)17-7-5-4-6-16(17)19(26)14-8-10-15(21)11-9-14/h4-11H,2-3,12-13H2,1H3