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4-(octadecanoylcarbamoyl)benzoic acid

4-(octadecanoylcarbamoyl)benzoic acid

Systemtic Name:4-(octadecanoylcarbamoyl)benzoic acid
Openeye Name:4-(octadecanoylcarbamoyl)benzoic acid
CAS Name:4-[oxo-(1-oxooctadecylamino)methyl]benzoic acid
IUPAC Name:4-(octadecanoylcarbamoyl)benzoic acid
Traditional Name:4-(stearoylcarbamoyl)benzoic acid
Formula: C26H41NO4
MolecularWeight: 431.60804
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC=C(C=C1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC=C(C=C1)C(=O)O


InChI

InChI=1S/C26H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-25(29)22-18-20-23(21-19-22)26(30)31/h18-21H,2-17H2,1H3,(H,30,31)(H,27,28,29)


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