2,5-bis[2-(3,4-dimethoxyphenyl)ethylamino]-3,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis[2-(3,4-dimethoxyphenyl)ethylamino]-3,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis[2-(3,4-dimethoxyphenyl)ethylamino]-3,6-dimethoxy-1,4-benzoquinone CAS Name: 2,5-bis[2-(3,4-dimethoxyphenyl)ethylamino]-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis[2-(3,4-dimethoxyphenyl)ethylamino]-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis(homoveratrylamino)-3,6-dimethoxy-p-benzoquinone Formula: C28H34N2O8 MolecularWeight: 526.57816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C(=C(C2=O)OC)NCCC3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C(=C(C2=O)OC)NCCC3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C28H34N2O8/c1-33-19-9-7-17(15-21(19)35-3)11-13-29-23-25(31)28(38-6)24(26(32)27(23)37-5)30-14-12-18-8-10-20(34-2)22(16-18)36-4/h7-10,15-16,29-30H,11-14H2,1-6H3