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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-propan-2-ylbenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4/c1-13(2)14-4-6-15(7-5-14)21(26)27-11-3-10-23-19(24)17-9-8-16(22)12-18(17)20(23)25/h4-9,12-13H,3,10-11H2,1-2H3