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

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

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H20N2O5/c1-33-24-16-18(15-20(17-28)19-7-3-2-4-8-19)11-12-23(24)34-25(30)13-14-29-26(31)21-9-5-6-10-22(21)27(29)32/h2-12,15-16H,13-14H2,1H3