[5-methyl-2-[(E)-non-1-enyl]-4-propoxy-oxan-3-yl] 2-azanylethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [5-methyl-2-[(E)-non-1-enyl]-4-propoxy-oxan-3-yl] 2-azanylethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [5-methyl-2-[(E)-non-1-enyl]-4-propoxy-tetrahydropyran-3-yl] 2-aminoacetate; 2,2,2-trifluoroacetic acid CAS Name: 2-aminoacetic acid [5-methyl-2-[(E)-non-1-enyl]-4-propoxy-3-oxanyl] ester; 2,2,2-trifluoroacetic acid IUPAC Name: [5-methyl-2-[(E)-non-1-enyl]-4-propoxyoxan-3-yl] 2-aminoacetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-aminoacetic acid [5-methyl-2-[(E)-non-1-enyl]-4-propoxy-tetrahydropyran-3-yl] ester; 2,2,2-trifluoroacetic acid Formula: C22H38F3NO6 MolecularWeight: 469.53543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CC1C(C(C(CO1)C)OCCC)OC(=O)CN.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCCCC/C=C/C1C(C(C(CO1)C)OCCC)OC(=O)CN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H37NO4.C2HF3O2/c1-4-6-7-8-9-10-11-12-17-20(25-18(22)14-21)19(23-13-5-2)16(3)15-24-17;3-2(4,5)1(6)7/h11-12,16-17,19-20H,4-10,13-15,21H2,1-3H3;(H,6,7)/b12-11+;