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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)OCCC(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)OCCC(C)CCCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-9-10-12-21-32-27-17-14-25(15-18-27)28-19-16-26(23-30-28)29(31)33-22-20-24(3)13-11-7-5-2/h14-19,23-24H,4-13,20-22H2,1-3H3