2,5-bis[2-(3-methylbutyl)-1H-indol-3-yl]-3,6-bis(oxidanyl)cyclohexane-1,4-dione

Systemtic Name: 2,5-bis[2-(3-methylbutyl)-1H-indol-3-yl]-3,6-bis(oxidanyl)cyclohexane-1,4-dione Openeye Name: 2,5-dihydroxy-3,6-bis(2-isopentyl-1H-indol-3-yl)cyclohexane-1,4-dione CAS Name: 2,5-dihydroxy-3,6-bis[2-(3-methylbutyl)-1H-indol-3-yl]cyclohexane-1,4-dione IUPAC Name: 2,5-dihydroxy-3,6-bis[2-(3-methylbutyl)-1H-indol-3-yl]cyclohexane-1,4-dione Traditional Name: 2,5-dihydroxy-3,6-bis(2-isoamyl-1H-indol-3-yl)cyclohexane-1,4-quinone Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C2=CC=CC=C2N1)C3C(C(=O)C(C(C3=O)O)C4=C(NC5=CC=CC=C54)CCC(C)C)O

Isomeric SMILES

CC(C)CCC1=C(C2=CC=CC=C2N1)C3C(C(=O)C(C(C3=O)O)C4=C(NC5=CC=CC=C54)CCC(C)C)O

InChI

InChI=1S/C32H38N2O4/c1-17(2)13-15-23-25(19-9-5-7-11-21(19)33-23)27-29(35)31(37)28(32(38)30(27)36)26-20-10-6-8-12-22(20)34-24(26)16-14-18(3)4/h5-12,17-18,27-29,32-35,38H,13-16H2,1-4H3