3-[[4-[(4-propoxyphenyl)methyl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-propoxyphenyl)methyl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-propoxyphenyl)methyl-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[(4-propoxyphenyl)methyl-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]amino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-propoxyphenyl)methyl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-propoxybenzyl)-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]benzoyl]amino]propionic acid Formula: C30H28F3N3O4S MolecularWeight: 583.62123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C30H28F3N3O4S/c1-2-17-40-25-13-3-20(4-14-25)18-36(24-11-7-22(8-12-24)28(39)34-16-15-27(37)38)29-35-26(19-41-29)21-5-9-23(10-6-21)30(31,32)33/h3-14,19H,2,15-18H2,1H3,(H,34,39)(H,37,38)