1-[5-chloranyl-2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]phenyl]-3-[[4-oxidanyl-1-(phenylmethyl)piperidin-4-yl]methyl]urea

Systemtic Name: 1-[5-chloranyl-2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]phenyl]-3-[[4-oxidanyl-1-(phenylmethyl)piperidin-4-yl]methyl]urea Openeye Name: 1-[(1-benzyl-4-hydroxy-4-piperidyl)methyl]-3-[5-chloro-2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]phenyl]urea CAS Name: 1-[5-chloro-2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-3-[[4-hydroxy-1-(phenylmethyl)-4-piperidinyl]methyl]urea IUPAC Name: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-3-[5-chloro-2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]urea Traditional Name: 1-[(1-benzyl-4-hydroxy-4-piperidyl)methyl]-3-[5-chloro-2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]phenyl]urea Formula: C36H48ClN3O3 MolecularWeight: 606.23762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=C(C=C(C=C2)Cl)NC(=O)NCC3(CCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC2=C(C=C(C=C2)Cl)NC(=O)NCC3(CCN(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C36H48ClN3O3/c1-34(2,3)29-20-26(21-30(32(29)41)35(4,5)6)12-13-27-14-15-28(37)22-31(27)39-33(42)38-24-36(43)16-18-40(19-17-36)23-25-10-8-7-9-11-25/h7-11,14-15,20-22,41,43H,12-13,16-19,23-24H2,1-6H3,(H2,38,39,42)