4-oxidanylidene-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]butanoic acid Openeye Name: 4-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylamino]butanoic acid Traditional Name: 4-[2-(4-cumylphenoxy)ethylamino]-4-keto-butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC(=O)CCC(=O)O

InChI

InChI=1S/C21H25NO4/c1-21(2,16-6-4-3-5-7-16)17-8-10-18(11-9-17)26-15-14-22-19(23)12-13-20(24)25/h3-11H,12-15H2,1-2H3,(H,22,23)(H,24,25)