(phenylmethyl) 1,4,7-triazonane-1-carboxylate

Systemtic Name: (phenylmethyl) 1,4,7-triazonane-1-carboxylate Openeye Name: benzyl 1,4,7-triazonane-1-carboxylate CAS Name: 1,4,7-triazonane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,4,7-triazonane-1-carboxylate Traditional Name: 1,4,7-triazonane-1-carboxylic acid benzyl ester Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNCCN(CCN1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H21N3O2/c18-14(19-12-13-4-2-1-3-5-13)17-10-8-15-6-7-16-9-11-17/h1-5,15-16H,6-12H2