4-(hexylamino)-2-methyl-2-phenoxy-pentanoic acid

Systemtic Name: 4-(hexylamino)-2-methyl-2-phenoxy-pentanoic acid Openeye Name: 4-(hexylamino)-2-methyl-2-phenoxy-pentanoic acid CAS Name: 4-(hexylamino)-2-methyl-2-phenoxypentanoic acid IUPAC Name: 4-(hexylamino)-2-methyl-2-phenoxypentanoic acid Traditional Name: 4-(hexylamino)-2-methyl-2-phenoxy-valeric acid Formula: C18H29NO3 MolecularWeight: 307.42776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-4-5-6-10-13-19-15(2)14-18(3,17(20)21)22-16-11-8-7-9-12-16/h7-9,11-12,15,19H,4-6,10,13-14H2,1-3H3,(H,20,21)