N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-en-1-amine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-en-1-amine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]prop-2-en-1-amine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-2-propen-1-amine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-en-1-amine Traditional Name: allyl-[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amine Formula: C17H19BrN2O2 MolecularWeight: 363.24896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC=C)Br)OCC2=CN=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC=C)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C17H19BrN2O2/c1-3-6-19-11-14-8-15(18)17(16(9-14)21-2)22-12-13-5-4-7-20-10-13/h3-5,7-10,19H,1,6,11-12H2,2H3