4-oxidanylidene-2-(phenethylamino)-4-[(4-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenethylamino)-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 4-(4-isopropylanilino)-4-oxo-2-(phenethylamino)butanoic acid CAS Name: 4-oxo-2-(phenethylamino)-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 4-oxo-2-(phenethylamino)-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 4-cumidino-4-keto-2-(phenethylamino)butyric acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-15(2)17-8-10-18(11-9-17)23-20(24)14-19(21(25)26)22-13-12-16-6-4-3-5-7-16/h3-11,15,19,22H,12-14H2,1-2H3,(H,23,24)(H,25,26)