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

Systemtic Name: tert-butyl 3-acetamido-4-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 3-acetamido-4-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 3-acetamido-4-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-4-keto-butyric acid tert-butyl ester Formula: C25H33N7O4 MolecularWeight: 495.57402

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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=CN2CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H33N7O4/c1-17(33)27-20(15-22(34)36-25(2,3)4)24(35)30-12-9-18(10-13-30)23-26-11-14-31(23)16-32-21-8-6-5-7-19(21)28-29-32/h5-8,11,14,18,20H,9-10,12-13,15-16H2,1-4H3,(H,27,33)