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

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanoate Openeye Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]butanoate CAS Name: 3-acetamido-4-oxo-4-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanoate Traditional Name: 3-acetamido-4-keto-4-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]butyric acid tert-butyl ester Formula: C24H33N5O4 MolecularWeight: 455.54992

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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=CN2CC3=CC=CC=N3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CC3=CC=CC=N3

InChI

InChI=1S/C24H33N5O4/c1-17(30)27-20(15-21(31)33-24(2,3)4)23(32)28-12-8-18(9-13-28)22-26-11-14-29(22)16-19-7-5-6-10-25-19/h5-7,10-11,14,18,20H,8-9,12-13,15-16H2,1-4H3,(H,27,30)