2-[3-(7-oxidanyl-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(7-oxidanyl-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=NN2C3=C1C=C(C=C3)O)CCC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC2=C(C=NN2C3=C1C=C(C=C3)O)CCC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H19N3O4/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/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)