2-[(3-acetamido-6-butyl-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-acetamido-6-butyl-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-acetamido-6-butyl-2-hydroxy-4-oxo-1-pyridyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-acetamido-6-butyl-2-hydroxy-4-oxo-1-pyridinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-acetamido-6-butyl-2-hydroxy-4-oxopyridin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-acetamido-6-butyl-2-hydroxy-4-keto-1-pyridyl)methyl]-6-phenyl-benzoic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)O)NC(=O)C

Isomeric SMILES

CCCCC1=CC(=O)C(=C(N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)O)NC(=O)C

InChI

InChI=1S/C25H26N2O5/c1-3-4-12-19-14-21(29)23(26-16(2)28)24(30)27(19)15-18-11-8-13-20(22(18)25(31)32)17-9-6-5-7-10-17/h5-11,13-14,30H,3-4,12,15H2,1-2H3,(H,26,28)(H,31,32)