2-[[4-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethoxy]phenyl]methyl]hexanoate

Systemtic Name: 2-[[4-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethoxy]phenyl]methyl]hexanoate Openeye Name: 2-[[4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]methyl]hexanoate CAS Name: 2-[[4-[2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]ethoxy]phenyl]methyl]hexanoate IUPAC Name: 2-[[4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]methyl]hexanoate Traditional Name: 2-[4-[2-[(6-keto-1H-pyridine-3-carbonyl)amino]ethoxy]benzyl]hexanoate Formula: C21H25N2O5- MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CNC(=O)C=C2)C(=O)[O-]

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CNC(=O)C=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O5/c1-2-3-4-16(21(26)27)13-15-5-8-18(9-6-15)28-12-11-22-20(25)17-7-10-19(24)23-14-17/h5-10,14,16H,2-4,11-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/p-1