[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H28N2O6/c1-28-19-14-21(30-3)20(29-2)13-18(19)23(27)31-16-22(26)25-11-9-24(10-12-25)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3