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6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinoline-3-carboxylic acid

6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinoline-3-carboxylic acid

Systemtic Name:6-chloranyl-2-methyl-1-oxidanylidene-4-phenethyloxy-isoquinoline-3-carboxylic acid
Openeye Name:6-chloro-2-methyl-1-oxo-4-phenethyloxy-isoquinoline-3-carboxylic acid
CAS Name:6-chloro-2-methyl-1-oxo-4-phenethyloxy-3-isoquinolinecarboxylic acid
IUPAC Name:6-chloro-2-methyl-1-oxo-4-phenethyloxyisoquinoline-3-carboxylic acid
Traditional Name:6-chloro-1-keto-2-methyl-4-phenethyloxy-isoquinoline-3-carboxylic acid
Formula: C19H16ClNO4
MolecularWeight: 357.78764
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)C(=O)O


Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCCC3=CC=CC=C3)C(=O)O


InChI

InChI=1S/C19H16ClNO4/c1-21-16(19(23)24)17(25-10-9-12-5-3-2-4-6-12)15-11-13(20)7-8-14(15)18(21)22/h2-8,11H,9-10H2,1H3,(H,23,24)


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