6-ethanoyl-10-[(E)-3-methylbut-1-enyl]-9-(2-methylpropyl)-1-oxa-3,7-diazacyclotridecane-2,8-dione

Systemtic Name: 6-ethanoyl-10-[(E)-3-methylbut-1-enyl]-9-(2-methylpropyl)-1-oxa-3,7-diazacyclotridecane-2,8-dione Openeye Name: 6-acetyl-9-isobutyl-10-[(E)-3-methylbut-1-enyl]-1-oxa-3,7-diazacyclotridecane-2,8-dione CAS Name: 6-acetyl-10-[(E)-3-methylbut-1-enyl]-9-(2-methylpropyl)-1-oxa-3,7-diazacyclotridecane-2,8-dione IUPAC Name: 6-acetyl-10-[(E)-3-methylbut-1-enyl]-9-(2-methylpropyl)-1-oxa-3,7-diazacyclotridecane-2,8-dione Traditional Name: 6-acetyl-9-isobutyl-10-[(E)-3-methylbut-1-enyl]-1-oxa-3,7-diazacyclotridecane-2,8-quinone Formula: C21H36N2O4 MolecularWeight: 380.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CCCOC(=O)NCCC(NC1=O)C(=O)C)C=CC(C)C

Isomeric SMILES

CC(C)CC1C(CCCOC(=O)NCCC(NC1=O)C(=O)C)/C=C/C(C)C

InChI

InChI=1S/C21H36N2O4/c1-14(2)8-9-17-7-6-12-27-21(26)22-11-10-19(16(5)24)23-20(25)18(17)13-15(3)4/h8-9,14-15,17-19H,6-7,10-13H2,1-5H3,(H,22,26)(H,23,25)/b9-8+