N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid Openeye Name: N-[(4-allyloxy-3-bromo-phenyl)methyl]-1-(p-tolyl)methanamine; oxalic acid CAS Name: N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid Traditional Name: (4-allyloxy-3-bromo-benzyl)-(4-methylbenzyl)amine; oxalic acid Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO.C2H2O4/c1-3-10-21-18-9-8-16(11-17(18)19)13-20-12-15-6-4-14(2)5-7-15;3-1(4)2(5)6/h3-9,11,20H,1,10,12-13H2,2H3;(H,3,4)(H,5,6)