4-chloranyl-2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: 4-chloranyl-2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: 4-chloro-2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-chloro-2-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-oxoethoxy]benzoate IUPAC Name: 4-chloro-2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-chloro-2-[2-keto-2-(4-veratrylpiperazino)ethoxy]benzoate Formula: C22H24ClN2O6- MolecularWeight: 447.88876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=C(C=CC(=C3)Cl)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=C(C=CC(=C3)Cl)C(=O)[O-])OC

InChI

InChI=1S/C22H25ClN2O6/c1-29-18-6-3-15(11-20(18)30-2)13-24-7-9-25(10-8-24)21(26)14-31-19-12-16(23)4-5-17(19)22(27)28/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28)/p-1