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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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