[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5/c1-27-17-7-4-8-18(28-2)20(17)21(26)29-14-19(25)24-11-9-23(10-12-24)16-6-3-5-15(22)13-16/h3-8,13H,9-12,14H2,1-2H3