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4-(13-phenyltridec-8-ynylamino)benzoic acid

4-(13-phenyltridec-8-ynylamino)benzoic acid

Systemtic Name:4-(13-phenyltridec-8-ynylamino)benzoic acid
Openeye Name:4-(13-phenyltridec-8-ynylamino)benzoic acid
CAS Name:4-(13-phenyltridec-8-ynylamino)benzoic acid
IUPAC Name:4-(13-phenyltridec-8-ynylamino)benzoic acid
Traditional Name:4-(13-phenyltridec-8-ynylamino)benzoic acid
Formula: C26H33NO2
MolecularWeight: 391.54572
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC#CCCCCCCCNC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCCC#CCCCCCCCNC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C26H33NO2/c28-26(29)24-18-20-25(21-19-24)27-22-14-9-7-5-3-1-2-4-6-8-11-15-23-16-12-10-13-17-23/h10,12-13,16-21,27H,1,3,5-9,11,14-15,22H2,(H,28,29)


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