ethyl 4-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C22H29ClN2O5 MolecularWeight: 436.92906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)OC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)OC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H28N2O5.ClH/c1-2-27-22(26)24-14-12-23(13-15-24)16-18(25)17-28-19-8-10-21(11-9-19)29-20-6-4-3-5-7-20;/h3-11,18,25H,2,12-17H2,1H3;1H