3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-chloranyl-benzoic acid

Systemtic Name: 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-benzoic acid CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid IUPAC Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-chloro-benzoic acid Formula: C14H20ClNO4 MolecularWeight: 301.7659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O

InChI

InChI=1S/C14H20ClNO4/c1-14(2,3)16-7-10(17)8-20-12-6-9(13(18)19)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3,(H,18,19)