tert-butyl 3,4-dimethoxy-5-oxidanyl-2-(piperazin-1-ylmethyl)benzoate

Systemtic Name: tert-butyl 3,4-dimethoxy-5-oxidanyl-2-(piperazin-1-ylmethyl)benzoate Openeye Name: tert-butyl 5-hydroxy-3,4-dimethoxy-2-(piperazin-1-ylmethyl)benzoate CAS Name: 5-hydroxy-3,4-dimethoxy-2-(1-piperazinylmethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-3,4-dimethoxy-2-(piperazin-1-ylmethyl)benzoate Traditional Name: 5-hydroxy-3,4-dimethoxy-2-(piperazinomethyl)benzoic acid tert-butyl ester Formula: C18H28N2O5 MolecularWeight: 352.42532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1CN2CCNCC2)OC)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1CN2CCNCC2)OC)OC)O

InChI

InChI=1S/C18H28N2O5/c1-18(2,3)25-17(22)12-10-14(21)16(24-5)15(23-4)13(12)11-20-8-6-19-7-9-20/h10,19,21H,6-9,11H2,1-5H3