pyridin-3-yl 3-chloranyl-4-(hexadecylamino)benzoate

Systemtic Name: pyridin-3-yl 3-chloranyl-4-(hexadecylamino)benzoate Openeye Name: 3-pyridyl 3-chloro-4-(hexadecylamino)benzoate CAS Name: 3-chloro-4-(hexadecylamino)benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3-chloro-4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)-3-chloro-benzoic acid 3-pyridyl ester Formula: C28H41ClN2O2 MolecularWeight: 473.09034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)Cl

InChI

InChI=1S/C28H41ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-27-19-18-24(22-26(27)29)28(32)33-25-17-16-20-30-23-25/h16-20,22-23,31H,2-15,21H2,1H3