[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O6/c1-28-18-11-15(12-19(29-2)21(18)30-3)22(27)31-14-20(26)25-9-7-24(8-10-25)17-6-4-5-16(23)13-17/h4-6,11-13H,7-10,14H2,1-3H3