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

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

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCCCC(C)CCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-9-10-13-21-32-28-18-12-11-17-26(28)25-19-20-30-23-27(25)29(31)33-22-14-16-24(3)15-7-5-2/h11-12,17-20,23-24H,4-10,13-16,21-22H2,1-3H3