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

Systemtic Name: 2-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate Openeye Name: 2-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate CAS Name: 4-(2-octoxyphenyl)-3-pyridinecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate Traditional Name: 4-(2-octoxyphenyl)nicotinic acid 2-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)OCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCC(C)CCCCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-10-11-15-21-32-28-18-14-13-17-26(28)25-19-20-30-22-27(25)29(31)33-23-24(3)16-12-9-7-5-2/h13-14,17-20,22,24H,4-12,15-16,21,23H2,1-3H3