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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C27H22BrNO5 MolecularWeight: 520.37128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO5/c28-21-10-13-23-24(17-21)27(32)29(26(23)31)15-4-16-33-25(30)14-9-19-7-11-22(12-8-19)34-18-20-5-2-1-3-6-20/h1-3,5-14,17H,4,15-16,18H2/b14-9+