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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-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-hexoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C27H30BrNO6 MolecularWeight: 544.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

InChI

InChI=1S/C27H30BrNO6/c1-3-4-5-6-15-34-23-12-8-19(17-24(23)33-2)9-13-25(30)35-16-7-14-29-26(31)21-11-10-20(28)18-22(21)27(29)32/h8-13,17-18H,3-7,14-16H2,1-2H3/b13-9+