2-[[4-(2-cyanophenyl)phenyl]methyl-(4-oxidanylidenepentanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(4-oxidanylidenepentanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(4-oxopentanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1,4-dioxopentyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(4-oxopentanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-(4-ketopentanoyl)amino]-3-methyl-butyric acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-16(2)23(24(29)30)26(22(28)13-8-17(3)27)15-18-9-11-19(12-10-18)21-7-5-4-6-20(21)14-25/h4-7,9-12,16,23H,8,13,15H2,1-3H3,(H,29,30)