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

Systemtic Name: [[3-[(4-bromophenyl)amino]phenyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [[3-(4-bromoanilino)phenyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [[3-(4-bromoanilino)phenyl]-cyanomethyl] ester IUPAC Name: [[3-(4-bromoanilino)phenyl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [[3-(4-bromoanilino)phenyl]-cyano-methyl] ester Formula: C25H22BrClN2O2 MolecularWeight: 497.81138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H22BrClN2O2/c1-16(2)24(17-6-10-20(27)11-7-17)25(30)31-23(15-28)18-4-3-5-22(14-18)29-21-12-8-19(26)9-13-21/h3-14,16,23-24,29H,1-2H3