3-(2-methylpropyl)-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxine-2,5-dione

Systemtic Name: 3-(2-methylpropyl)-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxine-2,5-dione Openeye Name: 3-isobutyl-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxine-2,5-dione CAS Name: 3-(2-methylpropyl)-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxin-2,5-dione IUPAC Name: 3-(2-methylpropyl)-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxine-2,5-dione Traditional Name: 3-isobutyl-6-[1-(3,8,11-triazaspiro[5.5]undecan-3-yl)propyl]-4aH-1,4-benzodioxin-2,5-quinone Formula: C23H35N3O4 MolecularWeight: 417.5417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C2C(C1=O)OC(C(=O)O2)CC(C)C)N3CCC4(CC3)CNCCN4

Isomeric SMILES

CCC(C1=CC=C2C(C1=O)OC(C(=O)O2)CC(C)C)N3CCC4(CC3)CNCCN4

InChI

InChI=1S/C23H35N3O4/c1-4-17(26-11-7-23(8-12-26)14-24-9-10-25-23)16-5-6-18-21(20(16)27)29-19(13-15(2)3)22(28)30-18/h5-6,15,17,19,21,24-25H,4,7-14H2,1-3H3