[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-20(2,3)14-6-8-15(9-7-14)26-12-11-22-17(24)13-27-19(25)16-5-4-10-23-18(16)21/h4-10H,11-13H2,1-3H3,(H,22,24)