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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CC1=CN(C(=O)N1C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H19N3O3/c1-15-14-23(18-8-3-16(4-9-18)7-12-20(25)27-2)21(26)24(15)19-10-5-17(13-22)6-11-19/h3-6,8-11,14H,7,12H2,1-2H3