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

Systemtic Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(3-pyridylmethyl)amino]-2-oxo-acetic acid CAS Name: 2-[[4-[(dodecylamino)-oxomethyl]phenyl]methyl-(3-pyridinylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[[4-(dodecylcarbamoyl)phenyl]methyl-(pyridin-3-ylmethyl)amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[4-(laurylcarbamoyl)benzyl]-(3-pyridylmethyl)amino]acetic acid Formula: C28H39N3O4 MolecularWeight: 481.62696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-19-30-26(32)25-16-14-23(15-17-25)21-31(27(33)28(34)35)22-24-13-12-18-29-20-24/h12-18,20H,2-11,19,21-22H2,1H3,(H,30,32)(H,34,35)