2-[4-(4,9-dibutoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoate

Systemtic Name: 2-[4-(4,9-dibutoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoate Openeye Name: 2-[4-(4,9-dibutoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetate CAS Name: 2-[4-(4,9-dibutoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetate IUPAC Name: 2-[4-(4,9-dibutoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetate Traditional Name: 2-[4-(4,9-dibutoxy-3-keto-1H-benz[f]isoindol-2-yl)phenyl]acetate Formula: C28H30NO5- MolecularWeight: 460.5415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCCC)C4=CC=C(C=C4)CC(=O)[O-]

Isomeric SMILES

CCCCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCCCC)C4=CC=C(C=C4)CC(=O)[O-]

InChI

InChI=1S/C28H31NO5/c1-3-5-15-33-26-21-9-7-8-10-22(21)27(34-16-6-4-2)25-23(26)18-29(28(25)32)20-13-11-19(12-14-20)17-24(30)31/h7-14H,3-6,15-18H2,1-2H3,(H,30,31)/p-1