2-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-2-butoxy-ethanoic acid; methanamine

Systemtic Name: 2-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-2-butoxy-ethanoic acid; methanamine Openeye Name: 2-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-2-butoxy-acetic acid; methanamine CAS Name: 2-[5,6-bis(4-fluorophenyl)-2-pyrazinyl]-2-butoxyacetic acid; methanamine IUPAC Name: 2-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-2-butoxyacetic acid; methanamine Traditional Name: 2-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]-2-butoxy-acetic acid; methylamine Formula: C23H25F2N3O3 MolecularWeight: 429.459706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C1=CN=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)O.CN

Isomeric SMILES

CCCCOC(C1=CN=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)O.CN

InChI

InChI=1S/C22H20F2N2O3.CH5N/c1-2-3-12-29-21(22(27)28)18-13-25-19(14-4-8-16(23)9-5-14)20(26-18)15-6-10-17(24)11-7-15;1-2/h4-11,13,21H,2-3,12H2,1H3,(H,27,28);2H2,1H3