2-(aminomethyl)-4-[[2,6-bis(oxidanyl)phenyl]methyl]hexanoic acid

Systemtic Name: 2-(aminomethyl)-4-[[2,6-bis(oxidanyl)phenyl]methyl]hexanoic acid Openeye Name: 2-(aminomethyl)-4-[(2,6-dihydroxyphenyl)methyl]hexanoic acid CAS Name: 2-(aminomethyl)-4-[(2,6-dihydroxyphenyl)methyl]hexanoic acid IUPAC Name: 2-(aminomethyl)-4-[(2,6-dihydroxyphenyl)methyl]hexanoic acid Traditional Name: 2-(aminomethyl)-4-(2,6-dihydroxybenzyl)hexanoic acid Formula: C14H21NO4 MolecularWeight: 267.32084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=CC=C1O)O)CC(CN)C(=O)O

Isomeric SMILES

CCC(CC1=C(C=CC=C1O)O)CC(CN)C(=O)O

InChI

InChI=1S/C14H21NO4/c1-2-9(6-10(8-15)14(18)19)7-11-12(16)4-3-5-13(11)17/h3-5,9-10,16-17H,2,6-8,15H2,1H3,(H,18,19)