4-[1,2-bis(oxidanyl)pentan-3-ylamino]benzoic acid

Systemtic Name: 4-[1,2-bis(oxidanyl)pentan-3-ylamino]benzoic acid Openeye Name: 4-[(1-ethyl-2,3-dihydroxy-propyl)amino]benzoic acid CAS Name: 4-(1,2-dihydroxypentan-3-ylamino)benzoic acid IUPAC Name: 4-(1,2-dihydroxypentan-3-ylamino)benzoic acid Traditional Name: 4-[(1-ethyl-2,3-dihydroxy-propyl)amino]benzoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CO)O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C(CO)O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17NO4/c1-2-10(11(15)7-14)13-9-5-3-8(4-6-9)12(16)17/h3-6,10-11,13-15H,2,7H2,1H3,(H,16,17)