N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]prop-2-yn-1-amine

Systemtic Name: N-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl]prop-2-yn-1-amine Openeye Name: N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]prop-2-yn-1-amine CAS Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-propyn-1-amine IUPAC Name: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]prop-2-yn-1-amine Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-propargyl-amine Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNCC#C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNCC#C)OC

InChI

InChI=1S/C13H16BrNO2/c1-4-6-15-9-10-7-11(14)13(17-5-2)12(8-10)16-3/h1,7-8,15H,5-6,9H2,2-3H3