2-chloranyl-6-[2-(4-pyrimidin-5-ylphenoxy)ethoxycarbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-6-[2-(4-pyrimidin-5-ylphenoxy)ethoxycarbonylamino]benzoic acid Openeye Name: 2-chloro-6-[2-(4-pyrimidin-5-ylphenoxy)ethoxycarbonylamino]benzoic acid CAS Name: 2-chloro-6-[[oxo-[2-[4-(5-pyrimidinyl)phenoxy]ethoxy]methyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[2-(4-pyrimidin-5-ylphenoxy)ethoxycarbonylamino]benzoic acid Traditional Name: 2-chloro-6-[2-[4-(5-pyrimidyl)phenoxy]ethoxycarbonylamino]benzoic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)O)NC(=O)OCCOC2=CC=C(C=C2)C3=CN=CN=C3

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)O)NC(=O)OCCOC2=CC=C(C=C2)C3=CN=CN=C3

InChI

InChI=1S/C20H16ClN3O5/c21-16-2-1-3-17(18(16)19(25)26)24-20(27)29-9-8-28-15-6-4-13(5-7-15)14-10-22-12-23-11-14/h1-7,10-12H,8-9H2,(H,24,27)(H,25,26)