(2-bromanyl-3-cyano-4-phenyl-phenyl)methyl 3-methyl-2-(pentanoylamino)butanoate

Systemtic Name: (2-bromanyl-3-cyano-4-phenyl-phenyl)methyl 3-methyl-2-(pentanoylamino)butanoate Openeye Name: (2-bromo-3-cyano-4-phenyl-phenyl)methyl 3-methyl-2-(pentanoylamino)butanoate CAS Name: 3-methyl-2-(1-oxopentylamino)butanoic acid (2-bromo-3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (2-bromo-3-cyano-4-phenylphenyl)methyl 3-methyl-2-(pentanoylamino)butanoate Traditional Name: 3-methyl-2-(valerylamino)butyric acid (2-bromo-3-cyano-4-phenyl-benzyl) ester Formula: C24H27BrN2O3 MolecularWeight: 471.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(C)C)C(=O)OCC1=C(C(=C(C=C1)C2=CC=CC=C2)C#N)Br

Isomeric SMILES

CCCCC(=O)NC(C(C)C)C(=O)OCC1=C(C(=C(C=C1)C2=CC=CC=C2)C#N)Br

InChI

InChI=1S/C24H27BrN2O3/c1-4-5-11-21(28)27-23(16(2)3)24(29)30-15-18-12-13-19(20(14-26)22(18)25)17-9-7-6-8-10-17/h6-10,12-13,16,23H,4-5,11,15H2,1-3H3,(H,27,28)