2-(4-bromanyl-3-heptoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-3-heptoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-bromo-3-heptoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-bromo-3-heptoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-3-heptoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-bromo-3-heptoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

Isomeric SMILES

CCCCCCCOC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

InChI

InChI=1S/C21H26BrNO3/c1-2-3-4-5-8-13-26-19-14-15(11-12-18(19)22)23-20(24)16-9-6-7-10-17(16)21(23)25/h11-12,14H,2-10,13H2,1H3