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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-3-(pentanoylamino)butanoate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-3-(pentanoylamino)butanoate CAS Name: 2-ethyl-3-(1-oxopentylamino)butanoic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-ethyl-3-(pentanoylamino)butanoate Traditional Name: 2-ethyl-3-(valerylamino)butyric acid (3-cyano-4-phenyl-benzyl) ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-4-6-12-24(28)27-18(3)22(5-2)25(29)30-17-19-13-14-23(21(15-19)16-26)20-10-8-7-9-11-20/h7-11,13-15,18,22H,4-6,12,17H2,1-3H3,(H,27,28)