tert-butyl 3-oxidanylidene-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-oxo-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate CAS Name: 3-oxo-4-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate Traditional Name: 3-keto-4-[4-(3-pyrrolidinopropoxy)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCC3

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)24-14-15-25(20(26)17-24)18-7-9-19(10-8-18)28-16-6-13-23-11-4-5-12-23/h7-10H,4-6,11-17H2,1-3H3