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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-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=C(C=C(C=C1)CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

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