2-[[3-(dodecylcarbamoyl)phenyl]methyl-[(4-hydroxyphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-(dodecylcarbamoyl)phenyl]methyl-[(4-hydroxyphenyl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[3-(dodecylcarbamoyl)phenyl]methyl-[(4-hydroxyphenyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[3-[(dodecylamino)-oxomethyl]phenyl]methyl-[(4-hydroxyphenyl)methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[3-(dodecylcarbamoyl)phenyl]methyl-[(4-hydroxyphenyl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-[(4-hydroxybenzyl)-[3-(laurylcarbamoyl)benzyl]amino]-2-keto-acetic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(C=C2)O)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(C=C2)O)C(=O)C(=O)O

InChI

InChI=1S/C29H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-19-30-27(33)25-14-12-13-24(20-25)22-31(28(34)29(35)36)21-23-15-17-26(32)18-16-23/h12-18,20,32H,2-11,19,21-22H2,1H3,(H,30,33)(H,35,36)