3-[3,5-bis(3-methylpentan-3-yl)-4-oxidanyl-phenyl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[3,5-bis(3-methylpentan-3-yl)-4-oxidanyl-phenyl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[3,5-bis(1-ethyl-1-methyl-propyl)-4-hydroxy-phenyl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[[4-hydroxy-3,5-bis(3-methylpentan-3-yl)phenyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-hydroxy-3,5-bis(3-methylpentan-3-yl)phenyl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[[3,5-bis(1-ethyl-1-methyl-propyl)-4-hydroxy-phenyl]thio]-1-pyrrolidino-propan-1-one Formula: C25H41NO2S MolecularWeight: 419.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C1=CC(=CC(=C1O)C(C)(CC)CC)SCCC(=O)N2CCCC2

Isomeric SMILES

CCC(C)(CC)C1=CC(=CC(=C1O)C(C)(CC)CC)SCCC(=O)N2CCCC2

InChI

InChI=1S/C25H41NO2S/c1-7-24(5,8-2)20-17-19(18-21(23(20)28)25(6,9-3)10-4)29-16-13-22(27)26-14-11-12-15-26/h17-18,28H,7-16H2,1-6H3