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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-27-19-12-18(13-20(14-19)28-2)22(26)29-16-21(25)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15-16H2,1-2H3