N-[4-formamido-2,2,3-tris[1-(2-hydroxyethyl)-3-oxidanyl-4-oxidanylidene-pyridin-2-yl]butyl]benzamide

Systemtic Name: N-[4-formamido-2,2,3-tris[1-(2-hydroxyethyl)-3-oxidanyl-4-oxidanylidene-pyridin-2-yl]butyl]benzamide Openeye Name: N-[4-formamido-2,2,3-tris[3-hydroxy-1-(2-hydroxyethyl)-4-oxo-2-pyridyl]butyl]benzamide CAS Name: N-[4-formamido-2,2,3-tris[3-hydroxy-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]butyl]benzamide IUPAC Name: N-[4-formamido-2,2,3-tris[3-hydroxy-1-(2-hydroxyethyl)-4-oxopyridin-2-yl]butyl]benzamide Traditional Name: N-[4-formamido-2,2,3-tris[3-hydroxy-1-(2-hydroxyethyl)-4-keto-2-pyridyl]butyl]benzamide Formula: C33H37N5O11 MolecularWeight: 679.67378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C2=C(C(=O)C=CN2CCO)O)(C3=C(C(=O)C=CN3CCO)O)C(CNC=O)C4=C(C(=O)C=CN4CCO)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C2=C(C(=O)C=CN2CCO)O)(C3=C(C(=O)C=CN3CCO)O)C(CNC=O)C4=C(C(=O)C=CN4CCO)O

InChI

InChI=1S/C33H37N5O11/c39-15-12-36-9-6-23(43)27(46)26(36)22(18-34-20-42)33(19-35-32(49)21-4-2-1-3-5-21,30-28(47)24(44)7-10-37(30)13-16-40)31-29(48)25(45)8-11-38(31)14-17-41/h1-11,20,22,39-41,46-48H,12-19H2,(H,34,42)(H,35,49)