[4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1)C=C(C#N)C2=CC=CC=C2)OC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1)C=C(C#N)C2=CC=CC=C2)OC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H20N2O5/c1-17(29-25(30)21-10-6-7-11-22(21)26(29)31)27(32)34-23-13-12-18(15-24(23)33-2)14-20(16-28)19-8-4-3-5-9-19/h3-15,17H,1-2H3