ethyl 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoate

Systemtic Name: ethyl 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoate Openeye Name: ethyl 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoate CAS Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoate Traditional Name: 4-[15-(4-bromophenyl)pentadec-14-ynylamino]benzoic acid ethyl ester Formula: C30H40BrNO2 MolecularWeight: 526.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCC#CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCC#CC2=CC=C(C=C2)Br

InChI

InChI=1S/C30H40BrNO2/c1-2-34-30(33)27-19-23-29(24-20-27)32-25-15-13-11-9-7-5-3-4-6-8-10-12-14-16-26-17-21-28(31)22-18-26/h17-24,32H,2-13,15,25H2,1H3