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

Systemtic Name: methyl 3-[7-[1,3-bis(oxidanylidene)isoindol-2-yl]heptyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[7-(1,3-dioxoisoindolin-2-yl)heptyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[7-(1,3-dioxo-2-isoindolyl)heptyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[7-(1,3-dioxoisoindol-2-yl)heptyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 6-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=C2C(=C(C=C2CCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

InChI

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