tert-butyl 2-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: tert-butyl 2-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-(4-benzyloxybutyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CCCCOCC4=CC=CC=C4

InChI

InChI=1S/C31H39N3O4/c1-31(2,3)38-30(36)27-14-8-7-13-26(27)29(35)34-19-15-25(16-20-34)28-32-17-21-33(28)18-9-10-22-37-23-24-11-5-4-6-12-24/h4-8,11-14,17,21,25H,9-10,15-16,18-20,22-23H2,1-3H3