pyridin-3-yl 4-(hexadecylamino)benzoate

Systemtic Name: pyridin-3-yl 4-(hexadecylamino)benzoate Openeye Name: 3-pyridyl 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid 3-pyridyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-30-26-20-18-25(19-21-26)28(31)32-27-17-16-22-29-24-27/h16-22,24,30H,2-15,23H2,1H3