tert-butyl 4-[4-[4-[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butyl]phenoxy]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butyl]phenoxy]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[(2S)-2-amino-4-methoxy-4-oxo-butyl]phenoxy]butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-[(2S)-2-amino-4-methoxy-4-oxobutyl]phenoxy]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[(2S)-2-amino-4-methoxy-4-oxobutyl]phenoxy]butyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-[(2S)-2-amino-4-keto-4-methoxy-butyl]phenoxy]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)CC(CC(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)C[C@@H](CC(=O)OC)N

InChI

InChI=1S/C25H40N2O5/c1-25(2,3)32-24(29)27-14-12-19(13-15-27)7-5-6-16-31-22-10-8-20(9-11-22)17-21(26)18-23(28)30-4/h8-11,19,21H,5-7,12-18,26H2,1-4H3/t21-/m0/s1