4-oxidanylidene-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoic acid Openeye Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoic acid CAS Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoic acid IUPAC Name: 4-oxo-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butanoic acid Traditional Name: 4-keto-4-[2-[4-(2,3,5-trimethylphenoxy)phenyl]ethylamino]butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)C)C

InChI

InChI=1S/C21H25NO4/c1-14-12-15(2)16(3)19(13-14)26-18-6-4-17(5-7-18)10-11-22-20(23)8-9-21(24)25/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)(H,24,25)