5-tert-butyl-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 5-tert-butyl-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 5-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 5-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 5-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 5-tert-butyl-6,7-dichloro-1-keto-4-methoxy-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C20H25Cl2NO4 MolecularWeight: 414.3228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=C(C(=C(C=C2C1=O)Cl)Cl)C(C)(C)C)OC)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=C(C(=C(C=C2C1=O)Cl)Cl)C(C)(C)C)OC)C(=O)O

InChI

InChI=1S/C20H25Cl2NO4/c1-19(2,3)9-23-15(18(25)26)16(27-7)12-10(17(23)24)8-11(21)14(22)13(12)20(4,5)6/h8H,9H2,1-7H3,(H,25,26)