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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]butanoate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]butanoate CAS Name: 2-ethyl-3-methyl-2-[(1-oxopentylamino)methyl]butanoic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-ethyl-3-methyl-2-[(pentanoylamino)methyl]butanoate Traditional Name: 2-ethyl-3-methyl-2-[(valerylamino)methyl]butyric acid (3-cyano-4-phenyl-benzyl) ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-5-7-13-25(30)29-19-27(6-2,20(3)4)26(31)32-18-21-14-15-24(23(16-21)17-28)22-11-9-8-10-12-22/h8-12,14-16,20H,5-7,13,18-19H2,1-4H3,(H,29,30)