2-[1,4-bis(3,4-dimethoxyphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1,4-bis(3,4-dimethoxyphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1,4-bis(3,4-dimethoxyphenyl)-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1,4-bis(3,4-dimethoxyphenyl)-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1,4-bis(3,4-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1,4-bis(3,4-dimethoxyphenyl)-3-keto-piperazin-2-yl]acetic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(C(=O)C2CC(=O)O)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(C(=O)C2CC(=O)O)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H26N2O7/c1-28-17-7-5-14(11-19(17)30-3)23-9-10-24(22(27)16(23)13-21(25)26)15-6-8-18(29-2)20(12-15)31-4/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,25,26)