4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-furyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-furanyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(2-furyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C26H20ClN3O5 MolecularWeight: 489.9071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CC=CO5

InChI

InChI=1S/C26H20ClN3O5/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-14,20,29H,10-11H2,(H,28,34)(H,32,33)