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

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-(cyclopropylmethyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-2-(cyclopropylmethyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-2-(cyclopropylmethyl)-1-keto-isoquinoline-3-carboxylic acid Formula: C18H19Cl2NO4 MolecularWeight: 384.25376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3CC3)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC3CC3)C(=O)O

InChI

InChI=1S/C18H19Cl2NO4/c1-2-3-6-25-16-11-7-13(19)14(20)8-12(11)17(22)21(9-10-4-5-10)15(16)18(23)24/h7-8,10H,2-6,9H2,1H3,(H,23,24)