ethanedioic acid; N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline

Systemtic Name: ethanedioic acid; N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline Openeye Name: N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline; oxalic acid CAS Name: N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline; oxalic acid IUPAC Name: N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline; oxalic acid Traditional Name: (2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl-phenyl-amine; oxalic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC=CC=C2C1CNC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC=CC=C2C1CNC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2.C2H2O4/c1-19-12-11-14-7-5-6-10-16(14)17(19)13-18-15-8-3-2-4-9-15;3-1(4)2(5)6/h2-10,17-18H,11-13H2,1H3;(H,3,4)(H,5,6)