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

Systemtic Name: 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[(7-nitrotetralin-2-yl)-propyl-amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[(7-nitrotetralin-2-yl)-propyl-amino]methyl]piperidine-1-carboxylic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-2-9-22(14-15-7-10-21(11-8-15)20(24)25)18-5-3-16-4-6-19(23(26)27)13-17(16)12-18/h4,6,13,15,18H,2-3,5,7-12,14H2,1H3,(H,24,25)