2-[3-(7-oxidanylpyrazolo[1,5-a]quinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-(7-oxidanylpyrazolo[1,5-a]quinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(7-hydroxypyrazolo[1,5-a]quinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[3-(7-hydroxy-3-pyrazolo[1,5-a]quinolinyl)-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-(7-hydroxypyrazolo[1,5-a]quinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-(7-hydroxypyrazolo[1,5-a]quinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=C3C=CC4=C(N3N=C2)C=CC(=C4)O

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=C3C=CC4=C(N3N=C2)C=CC(=C4)O

InChI

InChI=1S/C21H21N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h5,7-9,11-12,25H,1-4,6,10H2,(H,23,26)(H,27,28)