methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]azulene-1-carboxylate Openeye Name: methyl 3-[5-(1,3-dioxoisoindolin-2-yl)pentyl]azulene-1-carboxylate CAS Name: 3-[5-(1,3-dioxo-2-isoindolyl)pentyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(1,3-dioxoisoindol-2-yl)pentyl]azulene-1-carboxylate Traditional Name: 3-(5-phthalimidopentyl)azulene-1-carboxylic acid methyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H23NO4/c1-30-25(29)22-16-17(18-11-5-2-6-12-19(18)22)10-4-3-9-15-26-23(27)20-13-7-8-14-21(20)24(26)28/h2,5-8,11-14,16H,3-4,9-10,15H2,1H3