N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-prop-2-enoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid Openeye Name: N-[(4-allyloxy-3-bromo-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (4-allyloxy-3-bromo-benzyl)-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)OCC=C)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)OCC=C)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrNO2.C2H2O4/c1-3-12-23-19-9-6-16(13-18(19)20)14-21-11-10-15-4-7-17(22-2)8-5-15;3-1(4)2(5)6/h3-9,13,21H,1,10-12,14H2,2H3;(H,3,4)(H,5,6)