1-butyl-2-oxidanylidene-4-(5-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-2-oxidanylidene-4-(5-phenylmethoxy-2-propan-2-yloxy-phenyl)pyridine-3-carboxylic acid Openeye Name: 4-(5-benzyloxy-2-isopropoxy-phenyl)-1-butyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-butyl-2-oxo-4-(5-phenylmethoxy-2-propan-2-yloxyphenyl)-3-pyridinecarboxylic acid IUPAC Name: 1-butyl-2-oxo-4-(5-phenylmethoxy-2-propan-2-yloxyphenyl)pyridine-3-carboxylic acid Traditional Name: 4-(5-benzoxy-2-isopropoxy-phenyl)-1-butyl-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=C(C=CC(=C2)OCC3=CC=CC=C3)OC(C)C

Isomeric SMILES

CCCCN1C=CC(=C(C1=O)C(=O)O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)OC(C)C

InChI

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