methyl 2-bromanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate

Systemtic Name: methyl 2-bromanyl-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate Openeye Name: methyl 2-bromo-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate CAS Name: 2-bromo-3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate Traditional Name: 2-bromo-3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]propionic acid methyl ester Formula: C20H19BrF3NO4 MolecularWeight: 474.26837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OC)Br)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)OC)Br)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H19BrF3NO4/c1-28-17-8-5-13(10-16(21)19(27)29-2)9-15(17)18(26)25-11-12-3-6-14(7-4-12)20(22,23)24/h3-9,16H,10-11H2,1-2H3,(H,25,26)