tert-butyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(benzotriazol-1-yl)-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1-benzotriazolyl)-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)21-16(13-14-9-5-4-6-10-14)18(25)24-17-12-8-7-11-15(17)22-23-24/h4-12,16H,13H2,1-3H3,(H,21,26)/t16-/m0/s1