6-bromanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(2-methoxyethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(2-methoxyethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2-methoxyethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(2-methoxyethyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16BrNO4/c1-25-10-9-21-17(19(23)24)16(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)