2-[(4-bromophenyl)-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(4-bromophenyl)-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-bromo-N-[[4-(dodecylcarbamoyl)phenyl]methyl]anilino]-2-oxo-acetic acid CAS Name: 2-[4-bromo-N-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl]anilino]-2-oxoacetic acid IUPAC Name: 2-[4-bromo-N-[[4-(dodecylcarbamoyl)phenyl]methyl]anilino]-2-oxoacetic acid Traditional Name: 2-(4-bromo-N-[4-(laurylcarbamoyl)benzyl]anilino)-2-keto-acetic acid Formula: C28H37BrN2O4 MolecularWeight: 545.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Br)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Br)C(=O)C(=O)O

InChI

InChI=1S/C28H37BrN2O4/c1-2-3-4-5-6-7-8-9-10-11-20-30-26(32)23-14-12-22(13-15-23)21-31(27(33)28(34)35)25-18-16-24(29)17-19-25/h12-19H,2-11,20-21H2,1H3,(H,30,32)(H,34,35)