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

Systemtic Name: 2-(5-chloranyl-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid; 1-ethyl-4-pyridin-2-yl-piperazine Openeye Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-oxo-acetic acid; 1-ethyl-4-(2-pyridyl)piperazine CAS Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 1-ethyl-4-(2-pyridinyl)piperazine IUPAC Name: 2-(5-chloro-2-phenethyloxyphenoxy)-2-oxoacetic acid; 1-ethyl-4-pyridin-2-ylpiperazine Traditional Name: 2-(5-chloro-2-phenethyloxy-phenoxy)-2-keto-acetic acid; 1-ethyl-4-(2-pyridyl)piperazine Formula: C27H30ClN3O5 MolecularWeight: 511.9972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=N2.C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)OC(=O)C(=O)O

Isomeric SMILES

CCN1CCN(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.C11H17N3/c17-12-6-7-13(14(10-12)22-16(20)15(18)19)21-9-8-11-4-2-1-3-5-11;1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11/h1-7,10H,8-9H2,(H,18,19);3-6H,2,7-10H2,1H3