[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)OCC

InChI

InChI=1S/C20H23ClN2O5/c1-3-5-11-27-16-9-8-14(12-17(16)26-4-2)20(25)28-13-18(24)23-15-7-6-10-22-19(15)21/h6-10,12H,3-5,11,13H2,1-2H3,(H,23,24)