(6-quinolin-2-ylhexanoylamino) benzoate

Systemtic Name: (6-quinolin-2-ylhexanoylamino) benzoate Openeye Name: [6-(2-quinolyl)hexanoylamino] benzoate CAS Name: benzoic acid [[1-oxo-6-(2-quinolinyl)hexyl]amino] ester IUPAC Name: (6-quinolin-2-ylhexanoylamino) benzoate Traditional Name: benzoic acid [6-(2-quinolyl)hexanoylamino] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c25-21(24-27-22(26)18-10-3-1-4-11-18)14-6-2-5-12-19-16-15-17-9-7-8-13-20(17)23-19/h1,3-4,7-11,13,15-16H,2,5-6,12,14H2,(H,24,25)