[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5/c1-28-20-14-18(15-21(16-20)29-2)8-9-23(27)30-17-22(26)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-7,14-16H,8-13,17H2,1-2H3