[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25NO5/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-31-23(28)14-15-26-24(29)20-8-4-5-9-21(20)25(26)30/h4-5,8-13,17H,1-3,6-7,14-16H2