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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-tert-butylbenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO4/c1-22(2,3)15-7-5-14(6-8-15)21(27)28-12-4-11-24-19(25)17-10-9-16(23)13-18(17)20(24)26/h5-10,13H,4,11-12H2,1-3H3