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

Systemtic Name: 5-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(2-ethoxyphenyl)-1-pyrazolidinyl]-5-oxopentanoic acid IUPAC Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-ethoxyphenyl)pyrazolidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[(3Z)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-o-phenetyl-pyrazolidin-1-yl]-5-keto-valeric acid Formula: C31H28ClN3O5 MolecularWeight: 558.02412

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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)CCCC(=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)CCCC(=O)O

InChI

InChI=1S/C31H28ClN3O5/c1-2-40-26-12-7-6-11-21(26)25-18-24(34-35(25)27(36)13-8-14-28(37)38)30-29(19-9-4-3-5-10-19)22-17-20(32)15-16-23(22)33-31(30)39/h3-7,9-12,15-17,25,34H,2,8,13-14,18H2,1H3,(H,37,38)/b30-24-