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

Systemtic Name: 4-(hexylamino)-2-methyl-2-phenoxy-hexanoic acid Openeye Name: 4-(hexylamino)-2-methyl-2-phenoxy-hexanoic acid CAS Name: 4-(hexylamino)-2-methyl-2-phenoxyhexanoic acid IUPAC Name: 4-(hexylamino)-2-methyl-2-phenoxyhexanoic acid Traditional Name: 4-(hexylamino)-2-methyl-2-phenoxy-hexanoic acid Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO3/c1-4-6-7-11-14-20-16(5-2)15-19(3,18(21)22)23-17-12-9-8-10-13-17/h8-10,12-13,16,20H,4-7,11,14-15H2,1-3H3,(H,21,22)