pyridin-3-yl 4-(hexadecylamino)-2-oxidanyl-benzoate

Systemtic Name: pyridin-3-yl 4-(hexadecylamino)-2-oxidanyl-benzoate Openeye Name: 3-pyridyl 4-(hexadecylamino)-2-hydroxy-benzoate CAS Name: 4-(hexadecylamino)-2-hydroxybenzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(hexadecylamino)-2-hydroxybenzoate Traditional Name: 4-(cetylamino)-2-hydroxy-benzoic acid 3-pyridyl ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-30-24-18-19-26(27(31)22-24)28(32)33-25-17-16-20-29-23-25/h16-20,22-23,30-31H,2-15,21H2,1H3