2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(heptylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(heptylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl]-4-keto-butyl]isoindoline-1,3-quinone Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21-17-27(2,3)18-23(31)24(21)22(30)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3