2-(pyridin-3-ylcarbonylamino)ethyl 2-(4-tert-butylphenoxy)ethanoate hydrochloride

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 2-(4-tert-butylphenoxy)ethanoate hydrochloride Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate hydrochloride CAS Name: 2-(4-tert-butylphenoxy)acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate hydrochloride Traditional Name: 2-(4-tert-butylphenoxy)acetic acid 2-nicotinamidoethyl ester hydrochloride Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCCNC(=O)C2=CN=CC=C2.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCCNC(=O)C2=CN=CC=C2.Cl

InChI

InChI=1S/C20H24N2O4.ClH/c1-20(2,3)16-6-8-17(9-7-16)26-14-18(23)25-12-11-22-19(24)15-5-4-10-21-13-15;/h4-10,13H,11-12,14H2,1-3H3,(H,22,24);1H