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

Systemtic Name: 6-chloranyl-2-methyl-4-(naphthalen-1-ylmethoxy)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-methyl-4-(1-naphthylmethoxy)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-methyl-4-(1-naphthalenylmethoxy)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-methyl-4-(naphthalen-1-ylmethoxy)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-methyl-4-(1-naphthylmethoxy)isoquinoline-3-carboxylic acid Formula: C22H16ClNO4 MolecularWeight: 393.81974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OCC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H16ClNO4/c1-24-19(22(26)27)20(18-11-15(23)9-10-17(18)21(24)25)28-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3,(H,26,27)