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

Systemtic Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]benzoate CAS Name: 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-methyl-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]benzoate Traditional Name: 2-[4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-3-methyl-piperazino]benzoic acid ethyl ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(C(C2)C)CC(COC3=C(C=C(C=C3)OC)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(C(C2)C)CC(COC3=C(C=C(C=C3)OC)C(C)(C)C)O

InChI

InChI=1S/C28H40N2O5/c1-7-34-27(32)23-10-8-9-11-25(23)30-15-14-29(20(2)17-30)18-21(31)19-35-26-13-12-22(33-6)16-24(26)28(3,4)5/h8-13,16,20-21,31H,7,14-15,17-19H2,1-6H3