methyl 3-[7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptyl]azulene-1-carboxylate Openeye Name: methyl 3-[7-(1,3-dioxoisoindolin-2-yl)heptyl]azulene-1-carboxylate CAS Name: 3-[7-(1,3-dioxo-2-isoindolyl)heptyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[7-(1,3-dioxoisoindol-2-yl)heptyl]azulene-1-carboxylate Traditional Name: 3-(7-phthalimidoheptyl)azulene-1-carboxylic acid methyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H27NO4/c1-32-27(31)24-18-19(20-13-7-5-8-14-21(20)24)12-6-3-2-4-11-17-28-25(29)22-15-9-10-16-23(22)26(28)30/h5,7-10,13-16,18H,2-4,6,11-12,17H2,1H3