3-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanyl-2-(phenylmethyl)propanoate; methyl-(phenylmethyl)azanium

Systemtic Name: 3-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanyl-2-(phenylmethyl)propanoate; methyl-(phenylmethyl)azanium Openeye Name: 2-benzyl-3-(4-bromo-2-fluoro-phenyl)-3-hydroxy-propanoate; benzyl(methyl)ammonium CAS Name: 3-(4-bromo-2-fluorophenyl)-3-hydroxy-2-(phenylmethyl)propanoate; methyl-(phenylmethyl)ammonium IUPAC Name: 2-benzyl-3-(4-bromo-2-fluorophenyl)-3-hydroxypropanoate; benzyl(methyl)azanium Traditional Name: 2-benzyl-3-(4-bromo-2-fluoro-phenyl)-3-hydroxy-propionate; benzyl(methyl)ammonium Formula: C24H25BrFNO3 MolecularWeight: 474.362603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=CC=C1.C1=CC=C(C=C1)CC(C(C2=C(C=C(C=C2)Br)F)O)C(=O)[O-]

Isomeric SMILES

C[NH2+]CC1=CC=CC=C1.C1=CC=C(C=C1)CC(C(C2=C(C=C(C=C2)Br)F)O)C(=O)[O-]

InChI

InChI=1S/C16H14BrFO3.C8H11N/c17-11-6-7-12(14(18)9-11)15(19)13(16(20)21)8-10-4-2-1-3-5-10;1-9-7-8-5-3-2-4-6-8/h1-7,9,13,15,19H,8H2,(H,20,21);2-6,9H,7H2,1H3