ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-2,2-dimethyl-propanoate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-2,2-dimethylpropanoate Traditional Name: 3-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]-2,2-dimethyl-propionic acid ethyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC(C)(C)C(=O)OCC

InChI

InChI=1S/C26H32N2O3/c1-5-7-12-24(29)28(19-26(3,4)25(30)31-6-2)18-20-13-15-21(16-14-20)23-11-9-8-10-22(23)17-27/h8-11,13-16H,5-7,12,18-19H2,1-4H3