methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[5-(1,3-dioxoisoindolin-2-yl)pentyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[5-(1,3-dioxo-2-isoindolyl)pentyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(1,3-dioxoisoindol-2-yl)pentyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 7-isopropyl-3-(5-phthalimidopentyl)azulene-1-carboxylic acid methyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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