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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CCNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CCNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C16H21N5O3/c1-3-10-21-14(18-19-20-21)11-24-15(22)8-9-17-16(23)13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3,(H,17,23)