2-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]isoindole-1,3-dione Openeye Name: 2-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]isoindoline-1,3-dione CAS Name: 2-[4-[(E)-7-(4-methoxyphenyl)-1-oxohept-6-enyl]-1-cyclohexa-1,5-dienyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]isoindole-1,3-dione Traditional Name: 2-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]isoindoline-1,3-quinone Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC(=O)C2CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCC(=O)C2CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H27NO4/c1-33-23-18-12-20(13-19-23)8-4-2-3-5-11-26(30)21-14-16-22(17-15-21)29-27(31)24-9-6-7-10-25(24)28(29)32/h4,6-10,12-14,16-19,21H,2-3,5,11,15H2,1H3/b8-4+