tert-butyl 2-[[(3-bromophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[(3-bromophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[(3-bromophenyl)methyl-(1-naphthylmethyl)amino]methyl]piperidine-1-carboxylate CAS Name: 2-[[(3-bromophenyl)methyl-(1-naphthalenylmethyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(3-bromophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 2-[[(3-bromobenzyl)-(1-naphthylmethyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35BrN2O2 MolecularWeight: 523.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1CN(CC2=CC(=CC=C2)Br)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1CN(CC2=CC(=CC=C2)Br)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H35BrN2O2/c1-29(2,3)34-28(33)32-17-7-6-15-26(32)21-31(19-22-10-8-14-25(30)18-22)20-24-13-9-12-23-11-4-5-16-27(23)24/h4-5,8-14,16,18,26H,6-7,15,17,19-21H2,1-3H3