5-[(3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(2,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(2,4-dimethoxyphenyl)-1-pyrazolidinyl]-5-oxopentanoic acid IUPAC Name: 5-[(3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[(3Z)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(2,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-keto-valeric acid Formula: C31H28BrN3O6 MolecularWeight: 618.47452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)NN2C(=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)/NN2C(=O)CCCC(=O)O)OC

InChI

InChI=1S/C31H28BrN3O6/c1-40-20-12-13-21(26(16-20)41-2)25-17-24(34-35(25)27(36)9-6-10-28(37)38)30-29(18-7-4-3-5-8-18)22-15-19(32)11-14-23(22)33-31(30)39/h3-5,7-8,11-16,25,34H,6,9-10,17H2,1-2H3,(H,37,38)/b30-24-