tert-butyl 4-[(3-bromophenyl)methyl-(4-pentylphenyl)carbonyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-bromophenyl)methyl-(4-pentylphenyl)carbonyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-bromophenyl)methyl-(4-pentylbenzoyl)amino]piperidine-1-carboxylate CAS Name: 4-[(3-bromophenyl)methyl-[oxo-(4-pentylphenyl)methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-bromophenyl)methyl-(4-pentylbenzoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-amylbenzoyl)-(3-bromobenzyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H39BrN2O3 MolecularWeight: 543.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Br)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Br)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H39BrN2O3/c1-5-6-7-9-22-12-14-24(15-13-22)27(33)32(21-23-10-8-11-25(30)20-23)26-16-18-31(19-17-26)28(34)35-29(2,3)4/h8,10-15,20,26H,5-7,9,16-19,21H2,1-4H3