N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2-oxidanyl-3-propan-2-yl-phenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2-oxidanyl-3-propan-2-yl-phenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-1-(2-hydroxy-3-isopropyl-benzoyl)pyrrolidine-2-carboxamide CAS Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-[(2-hydroxy-3-propan-2-ylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2-hydroxy-3-propan-2-ylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-1-(2-hydroxy-3-isopropyl-benzoyl)pyrrolidine-2-carboxamide Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1O)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=CC(=C1O)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H36ClN3O3/c1-19(2)23-5-3-6-24(26(23)33)28(35)32-14-4-7-25(32)27(34)30-17-20-12-15-31(16-13-20)18-21-8-10-22(29)11-9-21/h3,5-6,8-11,19-20,25,33H,4,7,12-18H2,1-2H3,(H,30,34)