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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-27-18-14-20(29-3)19(28-2)13-17(18)22(26)30-15-21(25)24-11-9-23(10-12-24)16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3