pyridin-3-yl 2-chloranyl-4-(tridecylamino)benzoate

Systemtic Name: pyridin-3-yl 2-chloranyl-4-(tridecylamino)benzoate Openeye Name: 3-pyridyl 2-chloro-4-(tridecylamino)benzoate CAS Name: 2-chloro-4-(tridecylamino)benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-chloro-4-(tridecylamino)benzoate Traditional Name: 2-chloro-4-(tridecylamino)benzoic acid 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=CN=CC=C2)Cl

Isomeric SMILES

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

InChI

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