tert-butyl 3-acetamido-4-oxidanylidene-4-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]butanoate

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]butanoate Openeye Name: tert-butyl 3-acetamido-4-[4-[1-(4-benzyloxybutyl)imidazol-2-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 3-acetamido-4-oxo-4-[4-[1-(4-phenylmethoxybutyl)-2-imidazolyl]-1-piperidinyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-(4-phenylmethoxybutyl)imidazol-2-yl]piperidin-1-yl]butanoate Traditional Name: 3-acetamido-4-[4-[1-(4-benzoxybutyl)imidazol-2-yl]piperidino]-4-keto-butyric acid tert-butyl ester Formula: C29H42N4O5 MolecularWeight: 526.66758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CCCCOCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CCCCOCC3=CC=CC=C3

InChI

InChI=1S/C29H42N4O5/c1-22(34)31-25(20-26(35)38-29(2,3)4)28(36)33-16-12-24(13-17-33)27-30-14-18-32(27)15-8-9-19-37-21-23-10-6-5-7-11-23/h5-7,10-11,14,18,24-25H,8-9,12-13,15-17,19-21H2,1-4H3,(H,31,34)