3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-butylcyclohexane-1-carboxylate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-butylcyclohexane-1-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H28BrNO4/c1-2-3-5-15-6-8-16(9-7-15)22(27)28-13-4-12-24-20(25)18-11-10-17(23)14-19(18)21(24)26/h10-11,14-16H,2-9,12-13H2,1H3