2-(hexadecan-3-ylamino)benzoate; 3-oxidanylidenebutanoate

Systemtic Name: 2-(hexadecan-3-ylamino)benzoate; 3-oxidanylidenebutanoate Openeye Name: 2-(1-ethyltetradecylamino)benzoate; 3-oxobutanoate CAS Name: 2-(hexadecan-3-ylamino)benzoate; 3-oxobutanoate IUPAC Name: 2-(hexadecan-3-ylamino)benzoate; 3-oxobutanoate Traditional Name: acetoacetate; 2-(1-ethyltetradecylamino)benzoate Formula: C27H43NO5-2 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)NC1=CC=CC=C1C(=O)[O-].CC(=O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(CC)NC1=CC=CC=C1C(=O)[O-].CC(=O)CC(=O)[O-]

InChI

InChI=1S/C23H39NO2.C4H6O3/c1-3-5-6-7-8-9-10-11-12-13-14-17-20(4-2)24-22-19-16-15-18-21(22)23(25)26;1-3(5)2-4(6)7/h15-16,18-20,24H,3-14,17H2,1-2H3,(H,25,26);2H2,1H3,(H,6,7)/p-2