(2-chloranylpyridin-3-yl) 4-(tridecylamino)benzoate

Systemtic Name: (2-chloranylpyridin-3-yl) 4-(tridecylamino)benzoate Openeye Name: (2-chloro-3-pyridyl) 4-(tridecylamino)benzoate CAS Name: 4-(tridecylamino)benzoic acid (2-chloro-3-pyridinyl) ester IUPAC Name: (2-chloropyridin-3-yl) 4-(tridecylamino)benzoate Traditional Name: 4-(tridecylamino)benzoic acid (2-chloro-3-pyridyl) ester Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=C(N=CC=C2)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-27-22-17-15-21(16-18-22)25(29)30-23-14-13-20-28-24(23)26/h13-18,20,27H,2-12,19H2,1H3