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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-(4-isopropyl-3-methyl-phenoxy)butanoate CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-(3-methyl-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)butyric acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C25H28BrNO5 MolecularWeight: 502.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C25H28BrNO5/c1-16(2)20-10-8-19(14-17(20)3)31-12-4-6-23(28)32-13-5-11-27-24(29)21-9-7-18(26)15-22(21)25(27)30/h7-10,14-16H,4-6,11-13H2,1-3H3