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

Systemtic Name: 2-azanylethanol; 3-[[4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-[4-(trifluoromethyl)phenyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-aminoethanol; 3-[[4-[[N-[4-(4-chlorophenyl)thiazol-2-yl]-4-(trifluoromethyl)anilino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-aminoethanol; 3-[[[4-[[N-[4-(4-chlorophenyl)-2-thiazolyl]-4-(trifluoromethyl)anilino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-aminoethanol; 3-[[4-[[N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)anilino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-aminoethanol; 3-[[4-[[N-[4-(4-chlorophenyl)thiazol-2-yl]-4-(trifluoromethyl)anilino]methyl]benzoyl]amino]propionic acid Formula: C29H28ClF3N4O4S MolecularWeight: 621.07023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C(F)(F)F)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C(=O)NCCC(=O)O.C(CO)N

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C(F)(F)F)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C(=O)NCCC(=O)O.C(CO)N

InChI

InChI=1S/C27H21ClF3N3O3S.C2H7NO/c28-21-9-5-18(6-10-21)23-16-38-26(33-23)34(22-11-7-20(8-12-22)27(29,30)31)15-17-1-3-19(4-2-17)25(37)32-14-13-24(35)36;3-1-2-4/h1-12,16H,13-15H2,(H,32,37)(H,35,36);4H,1-3H2