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

Systemtic Name: 8-tert-butyl-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 8-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 8-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 8-tert-butyl-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 8-tert-butyl-6,7-dichloro-1-keto-2-neopentyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H27Cl2NO3 MolecularWeight: 460.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC(=C(C(=C2C1=O)C(C)(C)C)Cl)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC(=C(C(=C2C1=O)C(C)(C)C)Cl)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27Cl2NO3/c1-24(2,3)13-28-21(23(30)31)17(14-10-8-7-9-11-14)15-12-16(26)20(27)19(25(4,5)6)18(15)22(28)29/h7-12H,13H2,1-6H3,(H,30,31)