6-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3,5-dimethylisoxazol-4-yl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[(3,5-dimethylisoxazol-4-yl)methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H17BrN2O4/c1-12-18(13(2)29-24-12)11-25-20(22(27)28)19(14-6-4-3-5-7-14)17-10-15(23)8-9-16(17)21(25)26/h3-10H,11H2,1-2H3,(H,27,28)