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2-(octylcarbamoyl)benzoate; triethylazanium

2-(octylcarbamoyl)benzoate; triethylazanium

Systemtic Name:2-(octylcarbamoyl)benzoate; triethylazanium
Openeye Name:2-(octylcarbamoyl)benzoate; triethylammonium
CAS Name:2-[(octylamino)-oxomethyl]benzoate; triethylammonium
IUPAC Name:2-(octylcarbamoyl)benzoate; triethylazanium
Traditional Name:2-(octylcarbamoyl)benzoate; triethylammonium
Formula: C22H38N2O3
MolecularWeight: 378.54872
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CC[NH+](CC)CC


Isomeric SMILES

CCCCCCCCNC(=O)C1=CC=CC=C1C(=O)[O-].CC[NH+](CC)CC


InChI

InChI=1S/C16H23NO3.C6H15N/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16(19)20;1-4-7(5-2)6-3/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)(H,19,20);4-6H2,1-3H3


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