5-chloranyl-2-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]benzoic acid

Systemtic Name: 5-chloranyl-2-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-yl-amino]benzoic acid Openeye Name: 3-[tert-butoxycarbonyl(4-pyridyl)amino]-5-chloro-2-ethoxy-benzoic acid CAS Name: 5-chloro-2-ethoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-pyridin-4-ylamino]benzoic acid IUPAC Name: 5-chloro-2-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-4-ylamino]benzoic acid Traditional Name: 3-[tert-butoxycarbonyl(4-pyridyl)amino]-5-chloro-2-ethoxy-benzoic acid Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(=O)O)Cl)N(C2=CC=NC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C(=O)O)Cl)N(C2=CC=NC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H21ClN2O5/c1-5-26-16-14(17(23)24)10-12(20)11-15(16)22(13-6-8-21-9-7-13)18(25)27-19(2,3)4/h6-11H,5H2,1-4H3,(H,23,24)