carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-yl-methanol

Systemtic Name: carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-yl-methanol Openeye Name: carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)-4-quinolyl]-(2-pyridyl)methanol CAS Name: carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)-4-quinolinyl]-(2-pyridinyl)methanol IUPAC Name: carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol Traditional Name: carbonic acid; [3-ethyl-2,8-bis(trifluoromethyl)-4-quinolyl]-(2-pyridyl)methanol Formula: C20H16F6N2O4 MolecularWeight: 462.342459

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C(=C1C(C3=CC=CC=N3)O)C=CC=C2C(F)(F)F)C(F)(F)F.C(=O)(O)O

Isomeric SMILES

CCC1=C(N=C2C(=C1C(C3=CC=CC=N3)O)C=CC=C2C(F)(F)F)C(F)(F)F.C(=O)(O)O

InChI

InChI=1S/C19H14F6N2O.CH2O3/c1-2-10-14(16(28)13-8-3-4-9-26-13)11-6-5-7-12(18(20,21)22)15(11)27-17(10)19(23,24)25;2-1(3)4/h3-9,16,28H,2H2,1H3;(H2,2,3,4)