[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H30N2O7/c1-5-27-17-12-16(13-18(28-6-2)20(17)29-7-3)21(26)30-14-19(25)23-10-8-22(9-11-23)15(4)24/h12-13H,5-11,14H2,1-4H3