ethyl 2-[4-[3-(3-tert-butyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[3-(3-tert-butyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[3-(4-benzyloxy-3-tert-butyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[3-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[3-(4-benzoxy-3-tert-butyl-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid ethyl ester Formula: C33H42N2O5 MolecularWeight: 546.69698

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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)C(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O5/c1-5-38-32(37)28-13-9-10-14-30(28)35-19-17-34(18-20-35)22-26(36)24-39-27-15-16-31(29(21-27)33(2,3)4)40-23-25-11-7-6-8-12-25/h6-16,21,26,36H,5,17-20,22-24H2,1-4H3