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

Systemtic Name: 1-ethyl-4-phenyl-piperazine; 2-(4-methoxy-3-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoic acid Openeye Name: 1-ethyl-4-phenyl-piperazine; 2-(4-methoxy-3-phenethyloxy-phenoxy)-2-oxo-acetic acid CAS Name: 1-ethyl-4-phenylpiperazine; 2-(4-methoxy-3-phenethyloxyphenoxy)-2-oxoacetic acid IUPAC Name: 1-ethyl-4-phenylpiperazine; 2-(4-methoxy-3-phenethyloxyphenoxy)-2-oxoacetic acid Traditional Name: 1-ethyl-4-phenyl-piperazine; 2-keto-2-(4-methoxy-3-phenethyloxy-phenoxy)acetic acid Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2.COC1=C(C=C(C=C1)OC(=O)C(=O)O)OCCC2=CC=CC=C2

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2.COC1=C(C=C(C=C1)OC(=O)C(=O)O)OCCC2=CC=CC=C2

InChI

InChI=1S/C17H16O6.C12H18N2/c1-21-14-8-7-13(23-17(20)16(18)19)11-15(14)22-10-9-12-5-3-2-4-6-12;1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h2-8,11H,9-10H2,1H3,(H,18,19);3-7H,2,8-11H2,1H3