2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-methoxy-N-(phenylmethyl)ethanamine

Systemtic Name: 2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-methoxy-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-[2,8-bis(trifluoromethyl)-4-quinolyl]-2-methoxy-ethanamine CAS Name: 2-[2,8-bis(trifluoromethyl)-4-quinolinyl]-2-methoxy-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-methoxyethanamine Traditional Name: benzyl-[2-[2,8-bis(trifluoromethyl)-4-quinolyl]-2-methoxy-ethyl]amine Formula: C21H18F6N2O MolecularWeight: 428.370839

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNCC1=CC=CC=C1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(CNCC1=CC=CC=C1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N2O/c1-30-17(12-28-11-13-6-3-2-4-7-13)15-10-18(21(25,26)27)29-19-14(15)8-5-9-16(19)20(22,23)24/h2-10,17,28H,11-12H2,1H3