4-[[ethyl-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[ethyl-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[ethyl-(7-nitrotetralin-2-yl)amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[ethyl-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[ethyl-(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[ethyl-(7-nitrotetralin-2-yl)amino]methyl]piperidine-1-carboxylic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)O)C2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1CCN(CC1)C(=O)O)C2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4/c1-2-20(13-14-7-9-21(10-8-14)19(23)24)17-5-3-15-4-6-18(22(25)26)12-16(15)11-17/h4,6,12,14,17H,2-3,5,7-11,13H2,1H3,(H,23,24)