N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(3-chlorophenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(3-chlorophenyl)ethanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(3-chlorophenyl)ethanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)ethanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)ethanamine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-(3-chlorophenyl)ethyl]amine; oxalic acid Formula: C18H19BrClNO5 MolecularWeight: 444.70416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNCCC2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNCCC2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrClNO.C2H2O4/c1-20-16-6-5-14(17)10-13(16)11-19-8-7-12-3-2-4-15(18)9-12;3-1(4)2(5)6/h2-6,9-10,19H,7-8,11H2,1H3;(H,3,4)(H,5,6)