3-methyl-2-[(4-oxidanylidene-2-phenoxy-4-phenyl-butanoyl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-oxidanylidene-2-phenoxy-4-phenyl-butanoyl)amino]butanoic acid Openeye Name: 3-methyl-2-[(4-oxo-2-phenoxy-4-phenyl-butanoyl)amino]butanoic acid CAS Name: 2-[(1,4-dioxo-2-phenoxy-4-phenylbutyl)amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[(4-oxo-2-phenoxy-4-phenylbutanoyl)amino]butanoic acid Traditional Name: 2-[(4-keto-2-phenoxy-4-phenyl-butanoyl)amino]-3-methyl-butyric acid Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)C1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)C1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5/c1-14(2)19(21(25)26)22-20(24)18(27-16-11-7-4-8-12-16)13-17(23)15-9-5-3-6-10-15/h3-12,14,18-19H,13H2,1-2H3,(H,22,24)(H,25,26)