8-[4-(phenylcarbonyl)phenoxy]octyl pyridine-3-carboxylate

Systemtic Name: 8-[4-(phenylcarbonyl)phenoxy]octyl pyridine-3-carboxylate Openeye Name: 8-(4-benzoylphenoxy)octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-(4-benzoylphenoxy)octyl ester IUPAC Name: 8-(4-benzoylphenoxy)octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-(4-benzoylphenoxy)octyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C27H29NO4/c29-26(22-11-6-5-7-12-22)23-14-16-25(17-15-23)31-19-8-3-1-2-4-9-20-32-27(30)24-13-10-18-28-21-24/h5-7,10-18,21H,1-4,8-9,19-20H2