3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-butoxyphenyl)prop-2-enoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-propenoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl (E)-3-(4-butoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C24H24BrNO5 MolecularWeight: 486.35506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C24H24BrNO5/c1-2-3-14-30-19-9-5-17(6-10-19)7-12-22(27)31-15-4-13-26-23(28)20-11-8-18(25)16-21(20)24(26)29/h5-12,16H,2-4,13-15H2,1H3/b12-7+