3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one; ethanedioic acid

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one; ethanedioic acid Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one; oxalic acid CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1-(1-pyrrolidinyl)-1-propanone; oxalic acid IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one; oxalic acid Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-benzyl)amino]-1-pyrrolidino-propan-1-one; oxalic acid Formula: C24H38N2O6 MolecularWeight: 450.56832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCCC(=O)N2CCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCCC(=O)N2CCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H36N2O2.C2H2O4/c1-21(2,3)17-13-16(14-18(20(17)26)22(4,5)6)15-23-10-9-19(25)24-11-7-8-12-24;3-1(4)2(5)6/h13-14,23,26H,7-12,15H2,1-6H3;(H,3,4)(H,5,6)