(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23N5O3/c1-3-4-12-26-19(23-24-25-26)14-29-21(28)17-10-5-6-11-18(17)22-20(27)16-9-7-8-15(2)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,27)