(2S)-1-phenylmethoxycarbonylazepane-2-carboxylic acid

Systemtic Name: (2S)-1-phenylmethoxycarbonylazepane-2-carboxylic acid Openeye Name: (2S)-1-benzyloxycarbonylazepane-2-carboxylic acid CAS Name: (2S)-1-phenylmethoxycarbonyl-2-azepanecarboxylic acid IUPAC Name: (2S)-1-phenylmethoxycarbonylazepane-2-carboxylic acid Traditional Name: (2S)-1-carbobenzoxyazepane-2-carboxylic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC[C@H](N(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H19NO4/c17-14(18)13-9-5-2-6-10-16(13)15(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,18)/t13-/m0/s1