2-[4-(butylaminomethyl)-2-methyl-phenoxy]ethanoate

Systemtic Name: 2-[4-(butylaminomethyl)-2-methyl-phenoxy]ethanoate Openeye Name: 2-[4-(butylaminomethyl)-2-methyl-phenoxy]acetate CAS Name: 2-[4-(butylaminomethyl)-2-methylphenoxy]acetate IUPAC Name: 2-[4-(butylaminomethyl)-2-methylphenoxy]acetate Traditional Name: 2-[4-(butylaminomethyl)-2-methyl-phenoxy]acetate Formula: C14H20NO3- MolecularWeight: 250.3135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C=C1)OCC(=O)[O-])C

Isomeric SMILES

CCCCNCC1=CC(=C(C=C1)OCC(=O)[O-])C

InChI

InChI=1S/C14H21NO3/c1-3-4-7-15-9-12-5-6-13(11(2)8-12)18-10-14(16)17/h5-6,8,15H,3-4,7,9-10H2,1-2H3,(H,16,17)/p-1