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

Systemtic Name: tert-butyl 3-oxidanylidene-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-oxo-4-[4-[3-(1-piperidyl)propoxy]phenyl]piperazine-1-carboxylate CAS Name: 3-oxo-4-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate Traditional Name: 3-keto-4-[4-(3-piperidinopropoxy)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=C(C=C2)OCCCN3CCCCC3

InChI

InChI=1S/C23H35N3O4/c1-23(2,3)30-22(28)25-15-16-26(21(27)18-25)19-8-10-20(11-9-19)29-17-7-14-24-12-5-4-6-13-24/h8-11H,4-7,12-18H2,1-3H3