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

Systemtic Name: 1-butyl-2-oxidanylidene-4-[4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]pyridine-3-carboxylic acid Openeye Name: 1-butyl-4-[4-[(2-isopropoxyphenyl)methoxy]phenyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-butyl-2-oxo-4-[4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 1-butyl-2-oxo-4-[4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]pyridine-3-carboxylic acid Traditional Name: 1-butyl-4-[4-(2-isopropoxybenzyl)oxyphenyl]-2-keto-nicotinic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5/c1-4-5-15-27-16-14-22(24(25(27)28)26(29)30)19-10-12-21(13-11-19)31-17-20-8-6-7-9-23(20)32-18(2)3/h6-14,16,18H,4-5,15,17H2,1-3H3,(H,29,30)