(phenylmethyl) 3-(phenylazanylmethyl)azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(phenylazanylmethyl)azepane-1-carboxylate Openeye Name: benzyl 3-(anilinomethyl)azepane-1-carboxylate CAS Name: 3-(anilinomethyl)-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(anilinomethyl)azepane-1-carboxylate Traditional Name: 3-(anilinomethyl)azepane-1-carboxylic acid benzyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)CNC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC(C1)CNC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-21(25-17-18-9-3-1-4-10-18)23-14-8-7-11-19(16-23)15-22-20-12-5-2-6-13-20/h1-6,9-10,12-13,19,22H,7-8,11,14-17H2