methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[5-(1,3-dioxoisoindolin-2-yl)pentyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[5-(1,3-dioxo-2-isoindolyl)pentyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(1,3-dioxoisoindol-2-yl)pentyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 6-isopropyl-3-(5-phthalimidopentyl)azulene-1-carboxylic acid methyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C=C1

InChI

InChI=1S/C28H29NO4/c1-18(2)19-12-14-21-20(17-25(28(32)33-3)22(21)15-13-19)9-5-4-8-16-29-26(30)23-10-6-7-11-24(23)27(29)31/h6-7,10-15,17-18H,4-5,8-9,16H2,1-3H3