2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C18H17ClFNO4 MolecularWeight: 365.783283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=CC=C3Cl)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=CC=C3Cl)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClFN.C2H2O4/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19;3-1(4)2(5)6/h1-7H,8-11H2;(H,3,4)(H,5,6)