ethyl 1-azanyl-3,4-dihydroisoquinoline-7-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: ethyl 1-azanyl-3,4-dihydroisoquinoline-7-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 1-amino-3,4-dihydroisoquinoline-7-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 1-amino-3,4-dihydroisoquinoline-7-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 1-amino-3,4-dihydroisoquinoline-7-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 1-amino-3,4-dihydroisoquinoline-7-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C14H15F3N2O4 MolecularWeight: 332.27511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CCN=C2N)C=C1.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(CCN=C2N)C=C1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H14N2O2.C2HF3O2/c1-2-16-12(15)9-4-3-8-5-6-14-11(13)10(8)7-9;3-2(4,5)1(6)7/h3-4,7H,2,5-6H2,1H3,(H2,13,14);(H,6,7)