3-azido-4-phenylmethoxy-azepane-1-carboxylic acid

Systemtic Name: 3-azido-4-phenylmethoxy-azepane-1-carboxylic acid Openeye Name: 3-azido-4-benzyloxy-azepane-1-carboxylic acid CAS Name: 3-azido-4-phenylmethoxy-1-azepanecarboxylic acid IUPAC Name: 3-azido-4-phenylmethoxyazepane-1-carboxylic acid Traditional Name: 3-azido-4-benzoxy-azepane-1-carboxylic acid Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)N=[N+]=[N-])OCC2=CC=CC=C2

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)N=[N+]=[N-])OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O3/c15-17-16-12-9-18(14(19)20)8-4-7-13(12)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,19,20)