5-[(2-oxidanylidene-5-phenyl-5-propyl-oxolan-3-yl)amino]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2-oxidanylidene-5-phenyl-5-propyl-oxolan-3-yl)amino]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-oxo-5-phenyl-5-propyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[(2-oxo-5-phenyl-5-propyl-3-oxolanyl)amino]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[(2-oxo-5-phenyl-5-propyloxolan-3-yl)amino]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[(2-keto-5-phenyl-5-propyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carboxylic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4/c1-2-8-17(11-6-4-3-5-7-11)9-13(16(23)24-17)19-14-12(15(21)22)10-18-20-14/h3-7,10,13H,2,8-9H2,1H3,(H,21,22)(H2,18,19,20)