(4-methoxyphenyl) 2-[[3-[(4-chlorophenyl)amino]phenyl]methyl]-2-cyano-3-methyl-butanoate

Systemtic Name: (4-methoxyphenyl) 2-[[3-[(4-chlorophenyl)amino]phenyl]methyl]-2-cyano-3-methyl-butanoate Openeye Name: (4-methoxyphenyl) 2-[[3-(4-chloroanilino)phenyl]methyl]-2-cyano-3-methyl-butanoate CAS Name: 2-[[3-(4-chloroanilino)phenyl]methyl]-2-cyano-3-methylbutanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-[[3-(4-chloroanilino)phenyl]methyl]-2-cyano-3-methylbutanoate Traditional Name: 2-[3-(4-chloroanilino)benzyl]-2-cyano-3-methyl-butyric acid (4-methoxyphenyl) ester Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC(=CC=C1)NC2=CC=C(C=C2)Cl)(C#N)C(=O)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(CC1=CC(=CC=C1)NC2=CC=C(C=C2)Cl)(C#N)C(=O)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H25ClN2O3/c1-18(2)26(17-28,25(30)32-24-13-11-23(31-3)12-14-24)16-19-5-4-6-22(15-19)29-21-9-7-20(27)8-10-21/h4-15,18,29H,16H2,1-3H3