(phenylmethyl) 7-azanyl-3,4,5,6-tetrahydro-2H-azepine-2-carboxylate

Systemtic Name: (phenylmethyl) 7-azanyl-3,4,5,6-tetrahydro-2H-azepine-2-carboxylate Openeye Name: benzyl 7-amino-3,4,5,6-tetrahydro-2H-azepine-2-carboxylate CAS Name: 7-amino-3,4,5,6-tetrahydro-2H-azepine-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-amino-3,4,5,6-tetrahydro-2H-azepine-2-carboxylate Traditional Name: 7-amino-3,4,5,6-tetrahydro-2H-azepine-2-carboxylic acid benzyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1CCC(=NC(C1)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C14H18N2O2/c15-13-9-5-4-8-12(16-13)14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,15,16)