methyl 3-[8-[1,3-bis(oxidanylidene)isoindol-2-yl]octyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[8-[1,3-bis(oxidanylidene)isoindol-2-yl]octyl]azulene-1-carboxylate Openeye Name: methyl 3-[8-(1,3-dioxoisoindolin-2-yl)octyl]azulene-1-carboxylate CAS Name: 3-[8-(1,3-dioxo-2-isoindolyl)octyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[8-(1,3-dioxoisoindol-2-yl)octyl]azulene-1-carboxylate Traditional Name: 3-(8-phthalimidooctyl)azulene-1-carboxylic acid methyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H29NO4/c1-33-28(32)25-19-20(21-14-8-6-9-15-22(21)25)13-7-4-2-3-5-12-18-29-26(30)23-16-10-11-17-24(23)27(29)31/h6,8-11,14-17,19H,2-5,7,12-13,18H2,1H3