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

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

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCCC(C)CCCCC

InChI

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