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

Systemtic Name: methyl 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[6-(1,3-dioxoisoindolin-2-yl)hexyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[6-(1,3-dioxo-2-isoindolyl)hexyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[6-(1,3-dioxoisoindol-2-yl)hexyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 6-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=C2C(=C(C=C2CCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

InChI

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