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

Systemtic Name: 6-chloranyl-2-methyl-1-oxidanylidene-4-(quinolin-2-ylmethoxy)isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-methyl-1-oxo-4-(2-quinolylmethoxy)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-methyl-1-oxo-4-(2-quinolinylmethoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-methyl-1-oxo-4-(quinolin-2-ylmethoxy)isoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-methyl-4-(2-quinolylmethoxy)isoquinoline-3-carboxylic acid Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C21H15ClN2O4/c1-24-18(21(26)27)19(16-10-13(22)7-9-15(16)20(24)25)28-11-14-8-6-12-4-2-3-5-17(12)23-14/h2-10H,11H2,1H3,(H,26,27)