tert-butyl 4-[[3-(4-aminocarbonylphenoxy)-2-oxidanyl-propyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-aminocarbonylphenoxy)-2-oxidanyl-propyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-carbamoylphenoxy)-2-hydroxy-propyl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-carbamoylphenoxy)-2-hydroxy-propyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NCC(COC2=CC=C(C=C2)C(=O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCC(COC2=CC=C(C=C2)C(=O)N)O

InChI

InChI=1S/C20H31N3O5/c1-20(2,3)28-19(26)23-10-8-15(9-11-23)22-12-16(24)13-27-17-6-4-14(5-7-17)18(21)25/h4-7,15-16,22,24H,8-13H2,1-3H3,(H2,21,25)