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

Systemtic Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-[3-(4-chlorophenyl)anthranil-5-yl]-6-isopropyl-cinchoninic acid Formula: C26H19ClN2O3 MolecularWeight: 442.89366

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN2O3/c1-14(2)16-5-9-22-19(11-16)20(26(30)31)13-24(28-22)17-6-10-23-21(12-17)25(32-29-23)15-3-7-18(27)8-4-15/h3-14H,1-2H3,(H,30,31)