1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate

Systemtic Name: 1-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate Openeye Name: [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 1-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]propan-2-yl ester IUPAC Name: 1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-2-yl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]ethyl] ester Formula: C27H36N2O9 MolecularWeight: 532.58274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(CN1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C27H36N2O9/c1-17(38-27(31)19-14-22(34-4)25(37-7)23(15-19)35-5)16-28-8-10-29(11-9-28)26(30)18-12-20(32-2)24(36-6)21(13-18)33-3/h12-15,17H,8-11,16H2,1-7H3