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

Systemtic Name: methyl 4-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoate Openeye Name: methyl 4-[4-[3-(4-cyanophenyl)-2-oxo-imidazolidin-1-yl]phenyl]-3-methyl-butanoate CAS Name: 4-[4-[3-(4-cyanophenyl)-2-oxo-1-imidazolidinyl]phenyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-cyanophenyl)-2-oxoimidazolidin-1-yl]phenyl]-3-methylbutanoate Traditional Name: 4-[4-[3-(4-cyanophenyl)-2-keto-imidazolidin-1-yl]phenyl]-3-methyl-butyric acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-16(14-21(26)28-2)13-17-3-7-19(8-4-17)24-11-12-25(22(24)27)20-9-5-18(15-23)6-10-20/h3-10,16H,11-14H2,1-2H3