2-[2-(4-dodecoxyphenyl)ethanoyl-ethyl-amino]-2-ethyl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[2-(4-dodecoxyphenyl)ethanoyl-ethyl-amino]-2-ethyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[[2-(4-dodecoxyphenyl)acetyl]-ethyl-amino]-2-ethyl-4-hydroxy-4-oxo-butanoate CAS Name: 2-[[2-(4-dodecoxyphenyl)-1-oxoethyl]-ethylamino]-2-ethyl-4-hydroxy-4-oxobutanoate IUPAC Name: 2-[[2-(4-dodecoxyphenyl)acetyl]-ethylamino]-2-ethyl-4-hydroxy-4-oxobutanoate Traditional Name: 2-ethyl-2-[ethyl-[2-(4-lauryloxyphenyl)acetyl]amino]-4-hydroxy-4-keto-butyrate Formula: C28H44NO6- MolecularWeight: 490.65206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)N(CC)C(CC)(CC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(=O)N(CC)C(CC)(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C28H45NO6/c1-4-7-8-9-10-11-12-13-14-15-20-35-24-18-16-23(17-19-24)21-25(30)29(6-3)28(5-2,27(33)34)22-26(31)32/h16-19H,4-15,20-22H2,1-3H3,(H,31,32)(H,33,34)/p-1