methyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]azulene-1-carboxylate Openeye Name: methyl 3-[6-(1,3-dioxoisoindolin-2-yl)hexyl]azulene-1-carboxylate CAS Name: 3-[6-(1,3-dioxo-2-isoindolyl)hexyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[6-(1,3-dioxoisoindol-2-yl)hexyl]azulene-1-carboxylate Traditional Name: 3-(6-phthalimidohexyl)azulene-1-carboxylic acid methyl ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H25NO4/c1-31-26(30)23-17-18(19-12-6-4-7-13-20(19)23)11-5-2-3-10-16-27-24(28)21-14-8-9-15-22(21)25(27)29/h4,6-9,12-15,17H,2-3,5,10-11,16H2,1H3