2-(hexadec-7-yn-6-ylamino)benzoic acid

Systemtic Name: 2-(hexadec-7-yn-6-ylamino)benzoic acid Openeye Name: 2-(1-pentylundec-2-ynylamino)benzoic acid CAS Name: 2-(hexadec-7-yn-6-ylamino)benzoic acid IUPAC Name: 2-(hexadec-7-yn-6-ylamino)benzoic acid Traditional Name: 2-(1-amylundec-2-ynylamino)benzoic acid Formula: C23H35NO2 MolecularWeight: 357.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC(CCCCC)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCC#CC(CCCCC)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C23H35NO2/c1-3-5-7-8-9-10-11-13-17-20(16-12-6-4-2)24-22-19-15-14-18-21(22)23(25)26/h14-15,18-20,24H,3-12,16H2,1-2H3,(H,25,26)