2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]butyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

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