tert-butyl N-[(2S)-1-oxidanylidene-1-piperidin-1-yl-3-[1-(triphenylmethyl)imidazol-4-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-piperidin-1-yl-3-[1-(triphenylmethyl)imidazol-4-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-oxo-2-(1-piperidyl)-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-(1-piperidinyl)-3-[1-(triphenylmethyl)-4-imidazolyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-piperidin-1-yl-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-piperidino-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamic acid tert-butyl ester Formula: C35H40N4O3 MolecularWeight: 564.7171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C35H40N4O3/c1-34(2,3)42-33(41)37-31(32(40)38-22-14-7-15-23-38)24-30-25-39(26-36-30)35(27-16-8-4-9-17-27,28-18-10-5-11-19-28)29-20-12-6-13-21-29/h4-6,8-13,16-21,25-26,31H,7,14-15,22-24H2,1-3H3,(H,37,41)/t31-/m0/s1