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6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name:6-chloranyl-4-(cyclopentylmethoxy)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid
Openeye Name:6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid
CAS Name:6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid
IUPAC Name:6-chloro-4-(cyclopentylmethoxy)-2-methyl-1-oxoisoquinoline-3-carboxylic acid
Traditional Name:6-chloro-4-(cyclopentylmethoxy)-1-keto-2-methyl-isoquinoline-3-carboxylic acid
Formula: C17H18ClNO4
MolecularWeight: 335.78212
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3CCCC3)C(=O)O


Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3CCCC3)C(=O)O


InChI

InChI=1S/C17H18ClNO4/c1-19-14(17(21)22)15(23-9-10-4-2-3-5-10)13-8-11(18)6-7-12(13)16(19)20/h6-8,10H,2-5,9H2,1H3,(H,21,22)


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