N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (5-bromo-2-propargyloxy-benzyl)-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO2.C2H2O4/c1-3-12-23-19-9-6-17(20)13-16(19)14-21-11-10-15-4-7-18(22-2)8-5-15;3-1(4)2(5)6/h1,4-9,13,21H,10-12,14H2,2H3;(H,3,4)(H,5,6)