ethyl 4-[(4-fluorophenyl)methyl]-1-[2-(3,4,5-trimethoxyphenoxy)ethanoyl]piperazine-2-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methyl]-1-[2-(3,4,5-trimethoxyphenoxy)ethanoyl]piperazine-2-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methyl]-1-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazine-2-carboxylate CAS Name: 4-[(4-fluorophenyl)methyl]-1-[1-oxo-2-(3,4,5-trimethoxyphenoxy)ethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methyl]-1-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazine-2-carboxylate Traditional Name: 4-(4-fluorobenzyl)-1-[2-(3,4,5-trimethoxyphenoxy)acetyl]piperazine-2-carboxylic acid ethyl ester Formula: C25H31FN2O7 MolecularWeight: 490.521243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)COC2=CC(=C(C(=C2)OC)OC)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)COC2=CC(=C(C(=C2)OC)OC)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31FN2O7/c1-5-34-25(30)20-15-27(14-17-6-8-18(26)9-7-17)10-11-28(20)23(29)16-35-19-12-21(31-2)24(33-4)22(13-19)32-3/h6-9,12-13,20H,5,10-11,14-16H2,1-4H3