2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid

Systemtic Name: 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-2-methyl-azepane-2-carboxylic acid CAS Name: 2-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-azepanecarboxylic acid IUPAC Name: 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-2-methyl-azepane-2-carboxylic acid Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCCN1C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1(CCCCCN1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-7-5-6-8-13(14,4)10(15)16/h5-9H2,1-4H3,(H,15,16)