ethanedioic acid; 2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-(2-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2.C2H2O4/c1-2-6-14-11-17(10-8-13(14)5-1)12-15-7-3-4-9-16-15;3-1(4)2(5)6/h1-7,9H,8,10-12H2;(H,3,4)(H,5,6)