N-[(5-bromanyl-2-propoxy-phenyl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(5-bromanyl-2-propoxy-phenyl)methyl]-3-ethynyl-aniline Openeye Name: N-[(5-bromo-2-propoxy-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(5-bromo-2-propoxyphenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(5-bromo-2-propoxyphenyl)methyl]-3-ethynylaniline Traditional Name: (5-bromo-2-propoxy-benzyl)-(3-ethynylphenyl)amine Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNC2=CC=CC(=C2)C#C

InChI

InChI=1S/C18H18BrNO/c1-3-10-21-18-9-8-16(19)12-15(18)13-20-17-7-5-6-14(4-2)11-17/h2,5-9,11-12,20H,3,10,13H2,1H3