5,8-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2,3-dihydro-1,4-benzodioxine-6,7-dione

Systemtic Name: 5,8-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2,3-dihydro-1,4-benzodioxine-6,7-dione Openeye Name: 5,8-bis[1-(1,1-dimethylallyl)indol-3-yl]-2,3-dihydro-1,4-benzodioxine-6,7-dione CAS Name: 5,8-bis[1-(2-methylbut-3-en-2-yl)-3-indolyl]-2,3-dihydro-1,4-benzodioxin-6,7-dione IUPAC Name: 5,8-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-2,3-dihydro-1,4-benzodioxine-6,7-dione Traditional Name: 5,8-bis[1-(1,1-dimethylallyl)indol-3-yl]-2,3-dihydro-1,4-benzodioxin-6,7-quinone Formula: C34H32N2O4 MolecularWeight: 532.62888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)C3=O)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OCCO4

Isomeric SMILES

CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)C3=O)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OCCO4

InChI

InChI=1S/C34H32N2O4/c1-7-33(3,4)35-19-23(21-13-9-11-15-25(21)35)27-29(37)30(38)28(32-31(27)39-17-18-40-32)24-20-36(34(5,6)8-2)26-16-12-10-14-22(24)26/h7-16,19-20H,1-2,17-18H2,3-6H3