N-[[3,5-bis(bromanyl)-4-prop-2-ynoxy-phenyl]methyl]-4-phenoxy-aniline

Systemtic Name: N-[[3,5-bis(bromanyl)-4-prop-2-ynoxy-phenyl]methyl]-4-phenoxy-aniline Openeye Name: N-[(3,5-dibromo-4-prop-2-ynoxy-phenyl)methyl]-4-phenoxy-aniline CAS Name: N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-4-phenoxyaniline IUPAC Name: N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-4-phenoxyaniline Traditional Name: (3,5-dibromo-4-propargyloxy-benzyl)-(4-phenoxyphenyl)amine Formula: C22H17Br2NO2 MolecularWeight: 487.18388

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)OC3=CC=CC=C3)Br

Isomeric SMILES

C#CCOC1=C(C=C(C=C1Br)CNC2=CC=C(C=C2)OC3=CC=CC=C3)Br

InChI

InChI=1S/C22H17Br2NO2/c1-2-12-26-22-20(23)13-16(14-21(22)24)15-25-17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h1,3-11,13-14,25H,12,15H2