2-[7-(2-methyl-4-phenyl-phenoxy)heptyl]isoindole-1,3-dione

Systemtic Name: 2-[7-(2-methyl-4-phenyl-phenoxy)heptyl]isoindole-1,3-dione Openeye Name: 2-[7-(2-methyl-4-phenyl-phenoxy)heptyl]isoindoline-1,3-dione CAS Name: 2-[7-(2-methyl-4-phenylphenoxy)heptyl]isoindole-1,3-dione IUPAC Name: 2-[7-(2-methyl-4-phenylphenoxy)heptyl]isoindole-1,3-dione Traditional Name: 2-[7-(2-methyl-4-phenyl-phenoxy)heptyl]isoindoline-1,3-quinone Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2)OCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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