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

Systemtic Name: 3,4,4-triethoxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,4,4-triethoxy-6-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4,4,5-triethoxy-2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-3-indolyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4,4,5-triethoxy-2-hydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-dien-1-one Traditional Name: 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,4,4-triethoxy-6-hydroxy-cyclohexa-2,5-dien-1-one Formula: C38H44N2O5 MolecularWeight: 608.76636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C(=C(C1(OCC)OCC)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

CCOC1=C(C(=O)C(=C(C1(OCC)OCC)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/C38H44N2O5/c1-10-36(6,7)39-23-27(25-19-15-17-21-29(25)39)31-33(41)34(42)32(38(44-13-4,45-14-5)35(31)43-12-3)28-24-40(37(8,9)11-2)30-22-18-16-20-26(28)30/h10-11,15-24,42H,1-2,12-14H2,3-9H3