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

Systemtic Name: tert-butyl 4-[4-[2-[3-methoxy-3-oxidanylidene-2-(phenylmethyl)propyl]phenoxy]butyl]piperidine-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-(2-benzyl-3-methoxy-3-oxo-propyl)phenoxy]butyl]piperidine-4-carboxylate CAS Name: 4-[4-[2-[3-methoxy-3-oxo-2-(phenylmethyl)propyl]phenoxy]butyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(2-benzyl-3-methoxy-3-oxopropyl)phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 4-[4-[2-(2-benzyl-3-keto-3-methoxy-propyl)phenoxy]butyl]isonipecotic acid tert-butyl ester Formula: C31H43NO5 MolecularWeight: 509.67682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCNCC1)CCCCOC2=CC=CC=C2CC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCNCC1)CCCCOC2=CC=CC=C2CC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C31H43NO5/c1-30(2,3)37-29(34)31(17-19-32-20-18-31)16-10-11-21-36-27-15-9-8-14-25(27)23-26(28(33)35-4)22-24-12-6-5-7-13-24/h5-9,12-15,26,32H,10-11,16-23H2,1-4H3