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6-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate

6-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate

Systemtic Name:6-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate
Openeye Name:6-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate
CAS Name:4-(2-octoxyphenyl)-3-pyridinecarboxylic acid 6-methyloctyl ester
IUPAC Name:6-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate
Traditional Name:4-(2-octoxyphenyl)nicotinic acid 6-methyloctyl ester
Formula: C29H43NO3
MolecularWeight: 453.65662
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCCCCCC(C)CC


Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCCCCCC(C)CC


InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-14-21-32-28-18-13-12-17-26(28)25-19-20-30-23-27(25)29(31)33-22-15-10-11-16-24(3)5-2/h12-13,17-20,23-24H,4-11,14-16,21-22H2,1-3H3


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