2-methyl-4-(octylamino)-2-phenoxy-hexanoic acid

Systemtic Name: 2-methyl-4-(octylamino)-2-phenoxy-hexanoic acid Openeye Name: 2-methyl-4-(octylamino)-2-phenoxy-hexanoic acid CAS Name: 2-methyl-4-(octylamino)-2-phenoxyhexanoic acid IUPAC Name: 2-methyl-4-(octylamino)-2-phenoxyhexanoic acid Traditional Name: 2-methyl-4-(octylamino)-2-phenoxy-hexanoic acid Formula: C21H35NO3 MolecularWeight: 349.5075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CC)CC(C)(C(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(CC)CC(C)(C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C21H35NO3/c1-4-6-7-8-9-13-16-22-18(5-2)17-21(3,20(23)24)25-19-14-11-10-12-15-19/h10-12,14-15,18,22H,4-9,13,16-17H2,1-3H3,(H,23,24)