2-methyl-4-oxidanylidene-2-phenyl-4-[(4-propoxycarbonylphenyl)amino]butanoic acid

Systemtic Name: 2-methyl-4-oxidanylidene-2-phenyl-4-[(4-propoxycarbonylphenyl)amino]butanoic acid Openeye Name: 2-methyl-4-oxo-2-phenyl-4-(4-propoxycarbonylanilino)butanoic acid CAS Name: 2-methyl-4-oxo-4-[4-[oxo(propoxy)methyl]anilino]-2-phenylbutanoic acid IUPAC Name: 2-methyl-4-oxo-2-phenyl-4-(4-propoxycarbonylanilino)butanoic acid Traditional Name: 4-keto-2-methyl-2-phenyl-4-(4-propoxycarbonylanilino)butyric acid Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-3-13-27-19(24)15-9-11-17(12-10-15)22-18(23)14-21(2,20(25)26)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,23)(H,25,26)