2-[4-(3-chloranylpropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[4-(3-chloranylpropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[4-(3-chloropropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[4-(3-chloropropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[4-(3-chloropropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[4-(3-chloropropylamino)phenyl]-1,3-benzoxazole-5-carboxylic acid Formula: C17H15ClN2O3 MolecularWeight: 330.7656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)C(=O)O)NCCCCl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)C(=O)O)NCCCCl

InChI

InChI=1S/C17H15ClN2O3/c18-8-1-9-19-13-5-2-11(3-6-13)16-20-14-10-12(17(21)22)4-7-15(14)23-16/h2-7,10,19H,1,8-9H2,(H,21,22)