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2-(octadecylcarbamoyl)benzoic acid

2-(octadecylcarbamoyl)benzoic acid

Systemtic Name:2-(octadecylcarbamoyl)benzoic acid
Openeye Name:2-(octadecylcarbamoyl)benzoic acid
CAS Name:2-[(octadecylamino)-oxomethyl]benzoic acid
IUPAC Name:2-(octadecylcarbamoyl)benzoic acid
Traditional Name:2-(stearylcarbamoyl)benzoic acid
Formula: C26H43NO3
MolecularWeight: 417.62452
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1C(=O)O


InChI

InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(29)30/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)(H,29,30)


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