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

Systemtic Name: 2-[4-[4-(2,6-dimethylphenyl)phenoxy]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,6-dimethylphenyl)phenoxy]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,6-dimethylphenyl)phenoxy]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,6-dimethylphenyl)phenoxy]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2,6-dimethylphenyl)phenoxy]butyl]isoindoline-1,3-quinone Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-18-8-7-9-19(2)24(18)20-12-14-21(15-13-20)30-17-6-5-16-27-25(28)22-10-3-4-11-23(22)26(27)29/h3-4,7-15H,5-6,16-17H2,1-2H3