2-(5-chloranyl-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid; 1-propyl-4-pyridin-2-yl-piperazine

Systemtic Name: 2-(5-chloranyl-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid; 1-propyl-4-pyridin-2-yl-piperazine Openeye Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-oxo-acetic acid; 1-propyl-4-(2-pyridyl)piperazine CAS Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 1-propyl-4-(2-pyridinyl)piperazine IUPAC Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 1-propyl-4-pyridin-2-ylpiperazine Traditional Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-keto-acetic acid; 1-propyl-4-(2-pyridyl)piperazine Formula: C28H32ClN3O5 MolecularWeight: 526.02378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC=CC=N2.C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)OC(=O)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=CC=CC=N2.C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)OC(=O)C(=O)O

InChI

InChI=1S/C16H13ClO5.C12H19N3/c17-12-6-7-13(14(10-12)22-16(20)15(18)19)21-9-8-11-4-2-1-3-5-11;1-2-7-14-8-10-15(11-9-14)12-5-3-4-6-13-12/h1-7,10H,8-9H2,(H,18,19);3-6H,2,7-11H2,1H3