tert-butyl 4-[4-[2-(3-methoxy-2-oxidanyl-3-oxidanylidene-propyl)phenoxy]butyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(3-methoxy-2-oxidanyl-3-oxidanylidene-propyl)phenoxy]butyl]piperidine-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-(2-hydroxy-3-methoxy-3-oxo-propyl)phenoxy]butyl]piperidine-4-carboxylate CAS Name: 4-[4-[2-(2-hydroxy-3-methoxy-3-oxopropyl)phenoxy]butyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(2-hydroxy-3-methoxy-3-oxopropyl)phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 4-[4-[2-(2-hydroxy-3-keto-3-methoxy-propyl)phenoxy]butyl]isonipecotic acid tert-butyl ester Formula: C24H37NO6 MolecularWeight: 435.55368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCNCC1)CCCCOC2=CC=CC=C2CC(C(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCNCC1)CCCCOC2=CC=CC=C2CC(C(=O)OC)O

InChI

InChI=1S/C24H37NO6/c1-23(2,3)31-22(28)24(12-14-25-15-13-24)11-7-8-16-30-20-10-6-5-9-18(20)17-19(26)21(27)29-4/h5-6,9-10,19,25-26H,7-8,11-17H2,1-4H3