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

Systemtic Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazino]benzoic acid ethyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5/c1-6-33-26(31)22-9-7-8-10-24(22)29-15-13-28(14-16-29)18-20(30)19-34-25-12-11-21(32-5)17-23(25)27(2,3)4/h7-12,17,20,30H,6,13-16,18-19H2,1-5H3