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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCOC1=CC(=CC(=C1)C(=O)O)Cl)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCOC1=CC(=CC(=C1)C(=O)O)Cl)C2=CC=NC=C2

InChI

InChI=1S/C19H21ClN2O5/c1-19(2,3)27-18(25)22(15-4-6-21-7-5-15)8-9-26-16-11-13(17(23)24)10-14(20)12-16/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)