N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]-1-(p-tolyl)methanamine; oxalic acid CAS Name: N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid Traditional Name: (5-bromo-2-propargyloxy-benzyl)-(4-methylbenzyl)amine; oxalic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)OCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Br)OCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18BrNO.C2H2O4/c1-3-10-21-18-9-8-17(19)11-16(18)13-20-12-15-6-4-14(2)5-7-15;3-1(4)2(5)6/h1,4-9,11,20H,10,12-13H2,2H3;(H,3,4)(H,5,6)