8-(4-phenoxyphenoxy)octyl pyridine-3-carboxylate

Systemtic Name: 8-(4-phenoxyphenoxy)octyl pyridine-3-carboxylate Openeye Name: 8-(4-phenoxyphenoxy)octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-(4-phenoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenoxyphenoxy)octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-(4-phenoxyphenoxy)octyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H29NO4/c28-26(22-11-10-18-27-21-22)30-20-9-4-2-1-3-8-19-29-23-14-16-25(17-15-23)31-24-12-6-5-7-13-24/h5-7,10-18,21H,1-4,8-9,19-20H2