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

Systemtic Name: methyl 3-[7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[7-(1,3-dioxoisoindolin-2-yl)heptyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[7-(1,3-dioxo-2-isoindolyl)heptyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[7-(1,3-dioxoisoindol-2-yl)heptyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 7-isopropyl-3-(7-phthalimidoheptyl)azulene-1-carboxylic acid methyl ester Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C30H33NO4/c1-20(2)21-13-11-16-23-22(19-27(26(23)18-21)30(34)35-3)12-7-5-4-6-10-17-31-28(32)24-14-8-9-15-25(24)29(31)33/h8-9,11,13-16,18-20H,4-7,10,12,17H2,1-3H3