6-bromanyl-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[3-(1-naphthyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[3-(1-naphthalenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[3-(1-naphthyl)anthranil-5-yl]cinchoninic acid Formula: C27H15BrN2O3 MolecularWeight: 495.3236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)C5=NC6=C(C=C(C=C6)Br)C(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)C5=NC6=C(C=C(C=C6)Br)C(=C5)C(=O)O

InChI

InChI=1S/C27H15BrN2O3/c28-17-9-11-23-20(13-17)21(27(31)32)14-25(29-23)16-8-10-24-22(12-16)26(33-30-24)19-7-3-5-15-4-1-2-6-18(15)19/h1-14H,(H,31,32)