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

Systemtic Name: ethyl 2-[4-[2-oxidanyl-1-(4-phenylmethoxyphenoxy)propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[1-(4-benzyloxyphenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[2-hydroxy-1-(4-phenylmethoxyphenoxy)propyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-hydroxy-1-(4-phenylmethoxyphenoxy)propyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[1-(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)C(C(C)O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C(C)O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O5/c1-3-34-29(33)26-11-7-8-12-27(26)30-17-19-31(20-18-30)28(22(2)32)36-25-15-13-24(14-16-25)35-21-23-9-5-4-6-10-23/h4-16,22,28,32H,3,17-21H2,1-2H3