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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-phenethyl-amine; oxalic acid Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO.C2H2O4/c1-19-16-8-7-14(11-15(16)17)12-18-10-9-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-8,11,18H,9-10,12H2,1H3;(H,3,4)(H,5,6)