ethyl 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-piperidine-1-carboxylate

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-piperidine-1-carboxylate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-4-piperidyl]-3-phenyl-piperidine-1-carboxylate CAS Name: 3-[1-[(4-bromophenyl)methyl]-4-piperidinyl]-3-phenyl-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-carboxylate Traditional Name: 3-[1-(4-bromobenzyl)-4-piperidyl]-3-phenyl-piperidine-1-carboxylic acid ethyl ester Formula: C26H33BrN2O2 MolecularWeight: 485.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)(C2CCN(CC2)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCCC(C1)(C2CCN(CC2)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H33BrN2O2/c1-2-31-25(30)29-16-6-15-26(20-29,22-7-4-3-5-8-22)23-13-17-28(18-14-23)19-21-9-11-24(27)12-10-21/h3-5,7-12,23H,2,6,13-20H2,1H3