7-butoxy-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylic acid

Systemtic Name: 7-butoxy-1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylic acid Openeye Name: 7-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid CAS Name: 7-butoxy-1-chloro-4-hydroxy-3-isoquinolinecarboxylic acid IUPAC Name: 7-butoxy-1-chloro-4-hydroxyisoquinoline-3-carboxylic acid Traditional Name: 7-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)O)O

InChI

InChI=1S/C14H14ClNO4/c1-2-3-6-20-8-4-5-9-10(7-8)13(15)16-11(12(9)17)14(18)19/h4-5,7,17H,2-3,6H2,1H3,(H,18,19)