pyridin-2-ylmethyl 2,2-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanoate

Systemtic Name: pyridin-2-ylmethyl 2,2-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanoate Openeye Name: 2-pyridylmethyl 2,2-bis[2,8-bis(trifluoromethyl)-4-quinolyl]acetate CAS Name: 2,2-bis[2,8-bis(trifluoromethyl)-4-quinolinyl]acetic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2,2-bis[2,8-bis(trifluoromethyl)quinolin-4-yl]acetate Traditional Name: 2,2-bis[2,8-bis(trifluoromethyl)-4-quinolyl]acetic acid 2-pyridylmethyl ester Formula: C30H15F12N3O2 MolecularWeight: 677.439838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)C4=CC(=NC5=C4C=CC=C5C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)C4=CC(=NC5=C4C=CC=C5C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H15F12N3O2/c31-27(32,33)19-8-3-6-15-17(11-21(29(37,38)39)44-24(15)19)23(26(46)47-13-14-5-1-2-10-43-14)18-12-22(30(40,41)42)45-25-16(18)7-4-9-20(25)28(34,35)36/h1-12,23H,13H2