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

Systemtic Name: 5-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-ethoxyphenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(4-ethoxyphenyl)pyrazolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-ethoxyphenyl)-1-pyrazolidinyl]-5-oxopentanoic acid IUPAC Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-ethoxyphenyl)pyrazolidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[(3Z)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-p-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=C(C=C1)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2C(=O)CCCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2C(=O)CCCC(=O)O

InChI

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