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

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(3-methylbutyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-isopentyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-2-(3-methylbutyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-2-isoamyl-1-keto-isoquinoline-3-carboxylic acid Formula: C19H23Cl2NO4 MolecularWeight: 400.29622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Cl2NO4/c1-4-5-8-26-17-12-9-14(20)15(21)10-13(12)18(23)22(7-6-11(2)3)16(17)19(24)25/h9-11H,4-8H2,1-3H3,(H,24,25)