8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octyl pyridine-3-carboxylate

Systemtic Name: 8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octyl pyridine-3-carboxylate Openeye Name: 8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]octyl ester IUPAC Name: 8-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octyl ester Formula: C33H37NO5 MolecularWeight: 527.65058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C33H37NO5/c1-2-3-15-30-31(28-14-8-9-16-29(28)39-30)32(35)25-17-19-27(20-18-25)37-22-10-6-4-5-7-11-23-38-33(36)26-13-12-21-34-24-26/h8-9,12-14,16-21,24H,2-7,10-11,15,22-23H2,1H3