1-ethyl-4-pyridin-2-yl-piperazine; 2-(3-methoxy-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid

Systemtic Name: 1-ethyl-4-pyridin-2-yl-piperazine; 2-(3-methoxy-2-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid Openeye Name: 1-ethyl-4-(2-pyridyl)piperazine; 2-(3-methoxy-2-phenethyloxy-phenoxy)-2-oxo-acetic acid CAS Name: 1-ethyl-4-(2-pyridinyl)piperazine; 2-(3-methoxy-2-phenethyloxyphenoxy)-2-oxoacetic acid IUPAC Name: 1-ethyl-4-pyridin-2-ylpiperazine; 2-(3-methoxy-2-phenethyloxyphenoxy)-2-oxoacetic acid Traditional Name: 1-ethyl-4-(2-pyridyl)piperazine; 2-keto-2-(3-methoxy-2-phenethyloxy-phenoxy)acetic acid Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=N2.COC1=CC=CC(=C1OCCC2=CC=CC=C2)OC(=O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=N2.COC1=CC=CC(=C1OCCC2=CC=CC=C2)OC(=O)C(=O)O

InChI

InChI=1S/C17H16O6.C11H17N3/c1-21-13-8-5-9-14(23-17(20)16(18)19)15(13)22-11-10-12-6-3-2-4-7-12;1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11/h2-9H,10-11H2,1H3,(H,18,19);3-6H,2,7-10H2,1H3