3-[3-aminocarbonyl-5-ethyl-4-[(5-iodanyl-2-propoxy-pyridin-3-yl)carbonylamino]pyrazol-1-yl]azetidine-1-carboxylic acid

Systemtic Name: 3-[3-aminocarbonyl-5-ethyl-4-[(5-iodanyl-2-propoxy-pyridin-3-yl)carbonylamino]pyrazol-1-yl]azetidine-1-carboxylic acid Openeye Name: 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-pyridine-3-carbonyl)amino]pyrazol-1-yl]azetidine-1-carboxylic acid CAS Name: 3-[3-carbamoyl-5-ethyl-4-[[(5-iodo-2-propoxy-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]-1-azetidinecarboxylic acid IUPAC Name: 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxypyridine-3-carbonyl)amino]pyrazol-1-yl]azetidine-1-carboxylic acid Traditional Name: 3-[3-carbamoyl-5-ethyl-4-[(5-iodo-2-propoxy-nicotinoyl)amino]pyrazol-1-yl]azetidine-1-carboxylic acid Formula: C19H23IN6O5 MolecularWeight: 542.32759

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)O)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)O)CC)I

InChI

InChI=1S/C19H23IN6O5/c1-3-5-31-18-12(6-10(20)7-22-18)17(28)23-14-13(4-2)26(24-15(14)16(21)27)11-8-25(9-11)19(29)30/h6-7,11H,3-5,8-9H2,1-2H3,(H2,21,27)(H,23,28)(H,29,30)