(phenylmethyl) 3-[[6-(dodecanoylamino)pyridin-2-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 3-[[6-(dodecanoylamino)pyridin-2-yl]carbamoyl]benzoate Openeye Name: benzyl 3-[[6-(dodecanoylamino)-2-pyridyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[6-(1-oxododecylamino)-2-pyridinyl]amino]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[6-(dodecanoylamino)pyridin-2-yl]carbamoyl]benzoate Traditional Name: 3-[[6-(lauroylamino)-2-pyridyl]carbamoyl]benzoic acid benzyl ester Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC(=N1)NC(=O)C2=CC(=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC(=N1)NC(=O)C2=CC(=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H39N3O4/c1-2-3-4-5-6-7-8-9-13-22-30(36)34-28-20-15-21-29(33-28)35-31(37)26-18-14-19-27(23-26)32(38)39-24-25-16-11-10-12-17-25/h10-12,14-21,23H,2-9,13,22,24H2,1H3,(H2,33,34,35,36,37)