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

Systemtic Name: ethyl 2-[4-[1-(3-tert-butyl-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[1-(4-benzyloxy-3-tert-butyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[1-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(3-tert-butyl-4-phenylmethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[1-(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)C(C(C)O)OC3=CC(=C(C=C3)OCC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O5/c1-6-38-32(37)27-14-10-11-15-29(27)34-18-20-35(21-19-34)31(24(2)36)40-26-16-17-30(28(22-26)33(3,4)5)39-23-25-12-8-7-9-13-25/h7-17,22,24,31,36H,6,18-21,23H2,1-5H3