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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-phenethylbenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C26H22BrNO4 MolecularWeight: 492.36118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C26H22BrNO4/c27-20-13-14-22-23(17-20)25(30)28(24(22)29)15-6-16-32-26(31)21-10-5-4-9-19(21)12-11-18-7-2-1-3-8-18/h1-5,7-10,13-14,17H,6,11-12,15-16H2