4-[(5S)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(furan-2-yl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5S)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(furan-2-yl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5S)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(2-furyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(5S)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(2-furanyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(5S)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(furan-2-yl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(2-furyl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C26H20BrN3O5 MolecularWeight: 534.3581

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CO5

Isomeric SMILES

C1[C@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CO5

InChI

InChI=1S/C26H20BrN3O5/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/h1-9,12-13,20,29H,10-11,14H2,(H,32,33)/t20-/m0/s1