N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-ethynyl-aniline Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-ethynylaniline Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(3-ethynylphenyl)amine Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C#C)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C#C)Br)OC

InChI

InChI=1S/C17H16BrNO2/c1-4-12-6-5-7-14(8-12)19-11-13-9-15(18)17(21-3)16(10-13)20-2/h1,5-10,19H,11H2,2-3H3