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4-butoxy-6-chloranyl-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

4-butoxy-6-chloranyl-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name:4-butoxy-6-chloranyl-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid
Openeye Name:4-butoxy-6-chloro-2-methyl-1-oxo-isoquinoline-3-carboxylic acid
CAS Name:4-butoxy-6-chloro-2-methyl-1-oxo-3-isoquinolinecarboxylic acid
IUPAC Name:4-butoxy-6-chloro-2-methyl-1-oxoisoquinoline-3-carboxylic acid
Traditional Name:4-butoxy-6-chloro-1-keto-2-methyl-isoquinoline-3-carboxylic acid
Formula: C15H16ClNO4
MolecularWeight: 309.74484
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)C(=O)O


Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)C)C(=O)O


InChI

InChI=1S/C15H16ClNO4/c1-3-4-7-21-13-11-8-9(16)5-6-10(11)14(18)17(2)12(13)15(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)


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