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

Systemtic Name: 2-[4-[4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl]-4-keto-butyl]isoindoline-1,3-quinone Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O4/c1-27(2)15-21(28-17-18-9-4-3-5-10-18)24(23(31)16-27)22(30)13-8-14-29-25(32)19-11-6-7-12-20(19)26(29)33/h3-7,9-12,28H,8,13-17H2,1-2H3