[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C18H23ClN2O6 MolecularWeight: 398.83802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C(=O)C)OC

InChI

InChI=1S/C18H23ClN2O6/c1-4-26-17-14(19)9-13(10-15(17)25-3)18(24)27-11-16(23)21-7-5-20(6-8-21)12(2)22/h9-10H,4-8,11H2,1-3H3