4-butoxy-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C19H23Cl2NO4 MolecularWeight: 400.29622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H23Cl2NO4/c1-5-6-7-26-16-11-8-13(20)14(21)9-12(11)17(23)22(10-19(2,3)4)15(16)18(24)25/h8-9H,5-7,10H2,1-4H3,(H,24,25)