[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O5/c1-28-19-13-17(12-18(23)21(19)29-2)22(27)30-15-20(26)25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3