2-[[[2-[(3-bromophenyl)methyl]naphthalen-1-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 2-[[[2-[(3-bromophenyl)methyl]naphthalen-1-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid Openeye Name: 2-[[[2-[(3-bromophenyl)methyl]-1-naphthyl]-methyl-amino]methyl]piperidine-1-carboxylic acid CAS Name: 2-[[[2-[(3-bromophenyl)methyl]-1-naphthalenyl]-methylamino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 2-[[[2-[(3-bromophenyl)methyl]naphthalen-1-yl]-methylamino]methyl]piperidine-1-carboxylic acid Traditional Name: 2-[[[2-(3-bromobenzyl)-1-naphthyl]-methyl-amino]methyl]piperidine-1-carboxylic acid Formula: C25H27BrN2O2 MolecularWeight: 467.39808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCN1C(=O)O)C2=C(C=CC3=CC=CC=C32)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN(CC1CCCCN1C(=O)O)C2=C(C=CC3=CC=CC=C32)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H27BrN2O2/c1-27(17-22-10-4-5-14-28(22)25(29)30)24-20(15-18-7-6-9-21(26)16-18)13-12-19-8-2-3-11-23(19)24/h2-3,6-9,11-13,16,22H,4-5,10,14-15,17H2,1H3,(H,29,30)