2-chloranylnonyl 4-(5-heptylpyridin-2-yl)benzoate

Systemtic Name: 2-chloranylnonyl 4-(5-heptylpyridin-2-yl)benzoate Openeye Name: 2-chlorononyl 4-(5-heptyl-2-pyridyl)benzoate CAS Name: 4-(5-heptyl-2-pyridinyl)benzoic acid 2-chlorononyl ester IUPAC Name: 2-chlorononyl 4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 4-(5-heptyl-2-pyridyl)benzoic acid 2-chlorononyl ester Formula: C28H40ClNO2 MolecularWeight: 458.0757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(CCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(CCCCCCC)Cl

InChI

InChI=1S/C28H40ClNO2/c1-3-5-7-9-11-13-23-15-20-27(30-21-23)24-16-18-25(19-17-24)28(31)32-22-26(29)14-12-10-8-6-4-2/h15-21,26H,3-14,22H2,1-2H3