2-(3-phenyl-2,1-benzoxazol-5-yl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-isopropyl-2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylic acid CAS Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-isopropyl-2-(3-phenylanthranil-5-yl)cinchoninic acid Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O3/c1-15(2)17-8-10-22-19(12-17)20(26(29)30)14-24(27-22)18-9-11-23-21(13-18)25(31-28-23)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,30)