methyl 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxo-imidazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxoimidazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-[3-(cyanomethyl)phenyl]-2-keto-4-imidazolin-1-yl]phenyl]propionic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=CC(=C3)CC#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=CC(=C3)CC#N

InChI

InChI=1S/C21H19N3O3/c1-27-20(25)10-7-16-5-8-18(9-6-16)23-13-14-24(21(23)26)19-4-2-3-17(15-19)11-12-22/h2-6,8-9,13-15H,7,10-11H2,1H3