4-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(2-ethoxyphenyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3Z)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-o-phenetyl-pyrazolidin-1-yl]-4-keto-butyric acid Formula: C30H26ClN3O5 MolecularWeight: 543.99754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2C(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2C(=O)CCC(=O)O

InChI

InChI=1S/C30H26ClN3O5/c1-2-39-25-11-7-6-10-20(25)24-17-23(33-34(24)26(35)14-15-27(36)37)29-28(18-8-4-3-5-9-18)21-16-19(31)12-13-22(21)32-30(29)38/h3-13,16,24,33H,2,14-15,17H2,1H3,(H,36,37)/b29-23-