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

Systemtic Name: 6-bromanyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-4-butoxy-2-isobutyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-4-butoxy-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid Formula: C18H22BrNO4 MolecularWeight: 396.27558

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO4/c1-4-5-8-24-16-14-9-12(19)6-7-13(14)17(21)20(10-11(2)3)15(16)18(22)23/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,22,23)