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

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-2-propan-2-yl-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-isopropyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-1-oxo-2-propan-2-yl-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-1-oxo-2-propan-2-ylisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-2-isopropyl-1-keto-isoquinoline-3-carboxylic acid Formula: C17H19Cl2NO4 MolecularWeight: 372.24306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2NO4/c1-4-5-6-24-15-10-7-12(18)13(19)8-11(10)16(21)20(9(2)3)14(15)17(22)23/h7-9H,4-6H2,1-3H3,(H,22,23)