methyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[6-(1,3-dioxoisoindolin-2-yl)hexyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[6-(1,3-dioxo-2-isoindolyl)hexyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[6-(1,3-dioxoisoindol-2-yl)hexyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 7-isopropyl-3-(6-phthalimidohexyl)azulene-1-carboxylic acid methyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H31NO4/c1-19(2)20-12-10-15-22-21(18-26(25(22)17-20)29(33)34-3)11-6-4-5-9-16-30-27(31)23-13-7-8-14-24(23)28(30)32/h7-8,10,12-15,17-19H,4-6,9,11,16H2,1-3H3