3-[3-[4-(4-cyanophenyl)-2,3-dimethyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid

Systemtic Name: 3-[3-[4-(4-cyanophenyl)-2,3-dimethyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-cyanophenyl)-2,3-dimethyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-cyanophenyl)-2,3-dimethylphenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-cyanophenyl)-2,3-dimethylphenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-cyanophenyl)-2,3-dimethyl-phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)N2CCN(C2=O)CCC(=O)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C)N2CCN(C2=O)CCC(=O)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O3/c1-14-15(2)19(24-12-11-23(21(24)27)10-9-20(25)26)8-7-18(14)17-5-3-16(13-22)4-6-17/h3-8H,9-12H2,1-2H3,(H,25,26)