3-[[3-(4-methylpentoxy)phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[3-(4-methylpentoxy)phenyl]methylamino]propanoic acid Openeye Name: 3-[(3-isohexyloxyphenyl)methylamino]propanoic acid CAS Name: 3-[[3-(4-methylpentoxy)phenyl]methylamino]propanoic acid IUPAC Name: 3-[[3-(4-methylpentoxy)phenyl]methylamino]propanoic acid Traditional Name: 3-[(3-isohexyloxybenzyl)amino]propionic acid Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC=CC(=C1)CNCCC(=O)O

Isomeric SMILES

CC(C)CCCOC1=CC=CC(=C1)CNCCC(=O)O

InChI

InChI=1S/C16H25NO3/c1-13(2)5-4-10-20-15-7-3-6-14(11-15)12-17-9-8-16(18)19/h3,6-7,11,13,17H,4-5,8-10,12H2,1-2H3,(H,18,19)