ethyl 3-[4-[4-(4-cyanophenyl)cyclohexyl]-2-oxidanylidene-1H-imidazol-3-yl]propanoate

Systemtic Name: ethyl 3-[4-[4-(4-cyanophenyl)cyclohexyl]-2-oxidanylidene-1H-imidazol-3-yl]propanoate Openeye Name: ethyl 3-[4-[4-(4-cyanophenyl)cyclohexyl]-2-oxo-1H-imidazol-3-yl]propanoate CAS Name: 3-[4-[4-(4-cyanophenyl)cyclohexyl]-2-oxo-1H-imidazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-(4-cyanophenyl)cyclohexyl]-2-oxo-1H-imidazol-3-yl]propanoate Traditional Name: 3-[5-[4-(4-cyanophenyl)cyclohexyl]-2-keto-4-imidazolin-1-yl]propionic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=CNC1=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCN1C(=CNC1=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O3/c1-2-27-20(25)11-12-24-19(14-23-21(24)26)18-9-7-17(8-10-18)16-5-3-15(13-22)4-6-16/h3-6,14,17-18H,2,7-12H2,1H3,(H,23,26)