[2-tert-butyl-8-(2-tert-butyl-7-pentanoyloxy-quinolin-8-yl)quinolin-7-yl] pentanoate

Systemtic Name: [2-tert-butyl-8-(2-tert-butyl-7-pentanoyloxy-quinolin-8-yl)quinolin-7-yl] pentanoate Openeye Name: [2-tert-butyl-8-(2-tert-butyl-7-pentanoyloxy-8-quinolyl)-7-quinolyl] pentanoate CAS Name: pentanoic acid [2-tert-butyl-8-[2-tert-butyl-7-(1-oxopentoxy)-8-quinolinyl]-7-quinolinyl] ester IUPAC Name: [2-tert-butyl-8-(2-tert-butyl-7-pentanoyloxyquinolin-8-yl)quinolin-7-yl] pentanoate Traditional Name: valeric acid [2-tert-butyl-8-(2-tert-butyl-7-valeryloxy-8-quinolyl)-7-quinolyl] ester Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C2=C(C=C1)C=CC(=N2)C(C)(C)C)C3=C(C=CC4=C3N=C(C=C4)C(C)(C)C)OC(=O)CCCC

Isomeric SMILES

CCCCC(=O)OC1=C(C2=C(C=C1)C=CC(=N2)C(C)(C)C)C3=C(C=CC4=C3N=C(C=C4)C(C)(C)C)OC(=O)CCCC

InChI

InChI=1S/C36H44N2O4/c1-9-11-13-29(39)41-25-19-15-23-17-21-27(35(3,4)5)37-33(23)31(25)32-26(42-30(40)14-12-10-2)20-16-24-18-22-28(36(6,7)8)38-34(24)32/h15-22H,9-14H2,1-8H3