2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethylphenoxy]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethylphenoxy]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2,6-dimethylphenyl)-3,5-dimethyl-phenoxy]butyl]isoindoline-1,3-quinone Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2C)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2C)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C28H29NO3/c1-18-10-9-11-19(2)25(18)26-20(3)16-22(17-21(26)4)32-15-8-7-14-29-27(30)23-12-5-6-13-24(23)28(29)31/h5-6,9-13,16-17H,7-8,14-15H2,1-4H3