ethyl 2-[4-[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[3-(4-benzoxyphenoxy)-2-hydroxy-propyl]piperazino]benzoic acid ethyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H34N2O5/c1-2-34-29(33)27-10-6-7-11-28(27)31-18-16-30(17-19-31)20-24(32)22-36-26-14-12-25(13-15-26)35-21-23-8-4-3-5-9-23/h3-15,24,32H,2,16-22H2,1H3