4-(4-bromophenyl)-3-(2-methylpropyl)-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-(4-bromophenyl)-3-(2-methylpropyl)-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-(4-bromophenyl)-3-isobutyl-5-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-(4-bromophenyl)-3-(2-methylpropyl)-5-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-(4-bromophenyl)-3-(2-methylpropyl)-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-(4-bromophenyl)-3-isobutyl-5-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C27H29BrNO3- MolecularWeight: 495.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CC(C1C2=CC=C(C=C2)Br)OCC3=CC4=CC=CC=C4C=C3)C(=O)[O-]

Isomeric SMILES

CC(C)CC1CN(CC(C1C2=CC=C(C=C2)Br)OCC3=CC4=CC=CC=C4C=C3)C(=O)[O-]

InChI

InChI=1S/C27H30BrNO3/c1-18(2)13-23-15-29(27(30)31)16-25(26(23)21-9-11-24(28)12-10-21)32-17-19-7-8-20-5-3-4-6-22(20)14-19/h3-12,14,18,23,25-26H,13,15-17H2,1-2H3,(H,30,31)/p-1