1-butyl-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-butyl-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-butyl-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-butyl-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-butyl-2-keto-4-(4-o-anisyloxyphenyl)nicotinic acid Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3OC

InChI

InChI=1S/C24H25NO5/c1-3-4-14-25-15-13-20(22(23(25)26)24(27)28)17-9-11-19(12-10-17)30-16-18-7-5-6-8-21(18)29-2/h5-13,15H,3-4,14,16H2,1-2H3,(H,27,28)