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

Systemtic Name: 5-[(5-butyl-2-oxidanylidene-5-phenyl-oxolan-3-yl)amino]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[(5-butyl-2-oxo-5-phenyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[(5-butyl-2-oxo-5-phenyl-3-oxolanyl)amino]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[(5-butyl-2-oxo-5-phenyloxolan-3-yl)amino]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[(5-butyl-2-keto-5-phenyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1(CC(C(=O)O1)NC2=C(C=NN2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4/c1-2-3-9-18(12-7-5-4-6-8-12)10-14(17(24)25-18)20-15-13(16(22)23)11-19-21-15/h4-8,11,14H,2-3,9-10H2,1H3,(H,22,23)(H2,19,20,21)