3-[1-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-1-pyridin-4-yl-propoxy]-5-chloranyl-benzoic acid

Systemtic Name: 3-[1-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-1-pyridin-4-yl-propoxy]-5-chloranyl-benzoic acid Openeye Name: 3-[1-amino-3-tert-butoxy-3-oxo-1-(4-pyridyl)propoxy]-5-chloro-benzoic acid CAS Name: 3-[1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-4-ylpropoxy]-5-chlorobenzoic acid IUPAC Name: 3-[1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-pyridin-4-ylpropoxy]-5-chlorobenzoic acid Traditional Name: 3-[1-amino-3-tert-butoxy-3-keto-1-(4-pyridyl)propoxy]-5-chloro-benzoic acid Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=NC=C1)(N)OC2=CC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=NC=C1)(N)OC2=CC(=CC(=C2)C(=O)O)Cl

InChI

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