methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[4-(1,3-dioxoisoindolin-2-yl)butyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[4-(1,3-dioxo-2-isoindolyl)butyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-dioxoisoindol-2-yl)butyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 7-isopropyl-3-(4-phthalimidobutyl)azulene-1-carboxylic acid methyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H27NO4/c1-17(2)18-10-8-13-20-19(16-24(23(20)15-18)27(31)32-3)9-6-7-14-28-25(29)21-11-4-5-12-22(21)26(28)30/h4-5,8,10-13,15-17H,6-7,9,14H2,1-3H3