tert-butyl N-[(2S,3S)-4-chloranyl-3-oxidanyl-1-(3-phenylmethoxyphenyl)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-4-chloranyl-3-oxidanyl-1-(3-phenylmethoxyphenyl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-[(3-benzyloxyphenyl)methyl]-3-chloro-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3S)-4-chloro-3-hydroxy-1-(3-phenylmethoxyphenyl)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-(3-phenylmethoxyphenyl)butan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(3-benzoxybenzyl)-3-chloro-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(CCl)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)OCC2=CC=CC=C2)[C@@H](CCl)O

InChI

InChI=1S/C22H28ClNO4/c1-22(2,3)28-21(26)24-19(20(25)14-23)13-17-10-7-11-18(12-17)27-15-16-8-5-4-6-9-16/h4-12,19-20,25H,13-15H2,1-3H3,(H,24,26)/t19-,20+/m0/s1