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

Systemtic Name: 2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Openeye Name: 2-[3-(1-naphthyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylic acid CAS Name: 2-[3-(1-naphthalenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylic acid IUPAC Name: 2-(3-naphthalen-1-yl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid Traditional Name: 2-[3-(1-naphthyl)anthranil-5-yl]cinchoninic acid Formula: C27H16N2O3 MolecularWeight: 416.42754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)C5=NC6=CC=CC=C6C(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C4C=C(C=CC4=NO3)C5=NC6=CC=CC=C6C(=C5)C(=O)O

InChI

InChI=1S/C27H16N2O3/c30-27(31)21-15-25(28-23-11-4-3-9-19(21)23)17-12-13-24-22(14-17)26(32-29-24)20-10-5-7-16-6-1-2-8-18(16)20/h1-15H,(H,30,31)