5-heptyl-3-(4-hexoxyphenyl)pyridine-2-carboxylate

Systemtic Name: 5-heptyl-3-(4-hexoxyphenyl)pyridine-2-carboxylate Openeye Name: 5-heptyl-3-(4-hexoxyphenyl)pyridine-2-carboxylate CAS Name: 5-heptyl-3-(4-hexoxyphenyl)-2-pyridinecarboxylate IUPAC Name: 5-heptyl-3-(4-hexoxyphenyl)pyridine-2-carboxylate Traditional Name: 5-heptyl-3-(4-hexoxyphenyl)picolinate Formula: C25H34NO3- MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)OCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(C(=C1)C2=CC=C(C=C2)OCCCCCC)C(=O)[O-]

InChI

InChI=1S/C25H35NO3/c1-3-5-7-9-10-12-20-18-23(24(25(27)28)26-19-20)21-13-15-22(16-14-21)29-17-11-8-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,27,28)/p-1