2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-chloranyl-benzoic acid

Systemtic Name: 2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-chloranyl-benzoic acid Openeye Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3-chloro-benzoic acid CAS Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzoic acid IUPAC Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzoic acid Traditional Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-3-chloro-benzoic acid Formula: C13H19ClN2O3 MolecularWeight: 286.75456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C(=C1)C(=O)O)N)Cl)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C(=C1)C(=O)O)N)Cl)O

InChI

InChI=1S/C13H19ClN2O3/c1-13(2,3)16-6-10(17)7-4-8(12(18)19)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3,(H,18,19)