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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C#N

InChI

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