4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid

Systemtic Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid Openeye Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid CAS Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid IUPAC Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid Traditional Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid Formula: C28H36BrNO2 MolecularWeight: 498.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C28H36BrNO2/c29-26-19-15-24(16-20-26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-23-30-27-21-17-25(18-22-27)28(31)32/h15-22,30H,1-11,13,23H2,(H,31,32)