2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-6-oxidanyl-3,4,4-tripropoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-6-oxidanyl-3,4,4-tripropoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-6-hydroxy-3,4,4-tripropoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-3-indolyl]-4,4,5-tripropoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-4,4,5-tripropoxycyclohexa-2,5-dien-1-one Traditional Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-6-hydroxy-3,4,4-tripropoxy-cyclohexa-2,5-dien-1-one Formula: C41H50N2O5 MolecularWeight: 650.8461

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=O)C(=C(C1(OCCC)OCCC)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C

Isomeric SMILES

CCCOC1=C(C(=O)C(=C(C1(OCCC)OCCC)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C

InChI

InChI=1S/C41H50N2O5/c1-10-23-46-38-34(30-26-42(39(6,7)13-4)32-21-17-15-19-28(30)32)36(44)37(45)35(41(38,47-24-11-2)48-25-12-3)31-27-43(40(8,9)14-5)33-22-18-16-20-29(31)33/h13-22,26-27,45H,4-5,10-12,23-25H2,1-3,6-9H3