N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-[butan-2-yl(2-phenylmethoxyethanoyl)amino]-N-cyclohexyl-ethanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-[butan-2-yl(2-phenylmethoxyethanoyl)amino]-N-cyclohexyl-ethanamide Openeye Name: 2-[(2-benzyloxyacetyl)-sec-butyl-amino]-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-2-[butan-2-yl-(1-oxo-2-phenylmethoxyethyl)amino]-N-cyclohexylacetamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-[butan-2-yl-(2-phenylmethoxyacetyl)amino]-N-cyclohexylacetamide Traditional Name: 2-[(2-benzoxyacetyl)-sec-butyl-amino]-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-acetamide Formula: C33H42BrN3O3 MolecularWeight: 608.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)COCC4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C33H42BrN3O3/c1-3-26(2)36(33(39)25-40-24-28-11-6-4-7-12-28)23-32(38)37(30-13-8-5-9-14-30)22-31-15-10-20-35(31)21-27-16-18-29(34)19-17-27/h4,6-7,10-12,15-20,26,30H,3,5,8-9,13-14,21-25H2,1-2H3