pentyl 3-oxidanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: pentyl 3-oxidanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: pentyl 3-hydroxy-2-phenyl-quinoline-4-carboxylate CAS Name: 3-hydroxy-2-phenyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 3-hydroxy-2-phenylquinoline-4-carboxylate Traditional Name: 3-hydroxy-2-phenyl-cinchoninic acid amyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO3/c1-2-3-9-14-25-21(24)18-16-12-7-8-13-17(16)22-19(20(18)23)15-10-5-4-6-11-15/h4-8,10-13,23H,2-3,9,14H2,1H3