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

Systemtic Name: 5-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate Openeye Name: 5-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate CAS Name: 4-(2-octoxyphenyl)-3-pyridinecarboxylic acid 5-methyloctyl ester IUPAC Name: 5-methyloctyl 4-(2-octoxyphenyl)pyridine-3-carboxylate Traditional Name: 4-(2-octoxyphenyl)nicotinic acid 5-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)OCCCCC(C)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)C(=O)OCCCCC(C)CCC

InChI

InChI=1S/C29H43NO3/c1-4-6-7-8-9-13-21-32-28-18-11-10-17-26(28)25-19-20-30-23-27(25)29(31)33-22-14-12-16-24(3)15-5-2/h10-11,17-20,23-24H,4-9,12-16,21-22H2,1-3H3