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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(4-ethoxyphenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(4-ethoxyphenyl)propanoate CAS Name: 3-(4-ethoxyphenyl)propanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-(4-ethoxyphenyl)propanoate Traditional Name: 3-p-phenetylpropionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO5/c1-2-28-17-8-4-15(5-9-17)6-11-20(25)29-13-3-12-24-21(26)18-10-7-16(23)14-19(18)22(24)27/h4-5,7-10,14H,2-3,6,11-13H2,1H3