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8-(2-phenylmethoxyphenoxy)octyl pyridine-3-carboxylate

8-(2-phenylmethoxyphenoxy)octyl pyridine-3-carboxylate

Systemtic Name:8-(2-phenylmethoxyphenoxy)octyl pyridine-3-carboxylate
Openeye Name:8-(2-benzyloxyphenoxy)octyl pyridine-3-carboxylate
CAS Name:3-pyridinecarboxylic acid 8-(2-phenylmethoxyphenoxy)octyl ester
IUPAC Name:8-(2-phenylmethoxyphenoxy)octyl pyridine-3-carboxylate
Traditional Name:nicotinic acid 8-(2-benzoxyphenoxy)octyl ester
Formula: C27H31NO4
MolecularWeight: 433.53934
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2OCCCCCCCCOC(=O)C3=CN=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2OCCCCCCCCOC(=O)C3=CN=CC=C3


InChI

InChI=1S/C27H31NO4/c29-27(24-15-12-18-28-21-24)31-20-11-4-2-1-3-10-19-30-25-16-8-9-17-26(25)32-22-23-13-6-5-7-14-23/h5-9,12-18,21H,1-4,10-11,19-20,22H2


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