2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-pyrrolidino-1,4-naphthoquinone Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

InChI

InChI=1S/C28H33NO3/c1-27(2,3)20-15-17(16-21(26(20)32)28(4,5)6)22-23(29-13-9-10-14-29)25(31)19-12-8-7-11-18(19)24(22)30/h7-8,11-12,15-16,32H,9-10,13-14H2,1-6H3