6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-butoxy-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C19H24BrNO4 MolecularWeight: 410.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Br)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H24BrNO4/c1-5-6-9-25-16-14-10-12(20)7-8-13(14)17(22)21(11-19(2,3)4)15(16)18(23)24/h7-8,10H,5-6,9,11H2,1-4H3,(H,23,24)