N-tert-butyl-2-(5-chloranyl-8-phenylmethoxy-quinolin-7-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-tert-butyl-2-(5-chloranyl-8-phenylmethoxy-quinolin-7-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-(8-benzyloxy-5-chloro-7-quinolyl)-N-tert-butyl-2-oxo-acetamide CAS Name: N-tert-butyl-2-(5-chloro-8-phenylmethoxy-7-quinolinyl)-2-oxoacetamide IUPAC Name: N-tert-butyl-2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-oxoacetamide Traditional Name: 2-(8-benzoxy-5-chloro-7-quinolyl)-N-tert-butyl-2-keto-acetamide Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(=O)C1=CC(=C2C=CC=NC2=C1OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C(=O)C1=CC(=C2C=CC=NC2=C1OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-22(2,3)25-21(27)19(26)16-12-17(23)15-10-7-11-24-18(15)20(16)28-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,25,27)