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

Systemtic Name: 4-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(3,4-dimethoxyphenyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(3,4-dimethoxyphenyl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C30H26BrN3O6 MolecularWeight: 604.44794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26BrN3O6/c1-39-24-11-8-18(14-25(24)40-2)23-16-22(33-34(23)26(35)12-13-27(36)37)29-28(17-6-4-3-5-7-17)20-15-19(31)9-10-21(20)32-30(29)38/h3-11,14-15,23,33H,12-13,16H2,1-2H3,(H,36,37)/b29-22+