tert-butyl N-[(1S,2R,3R)-2-ethenyl-3-oxidanyl-1-phenyl-pentyl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[(1S,2R,3R)-2-ethenyl-3-oxidanyl-1-phenyl-pentyl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[(1S,2R,3R)-3-hydroxy-1-phenyl-2-vinyl-pentyl]carbamate CAS Name: N-[(1S,2R,3R)-2-ethenyl-3-hydroxy-1-phenylpentyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[(1S,2R,3R)-2-ethenyl-3-hydroxy-1-phenylpentyl]carbamate Traditional Name: N-benzyl-N-[(1S,2R)-2-[(1R)-1-hydroxypropyl]-1-phenyl-but-3-enyl]carbamic acid tert-butyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C=C)C(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC[C@H]([C@H](C=C)[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H33NO3/c1-6-21(22(27)7-2)23(20-16-12-9-13-17-20)26(24(28)29-25(3,4)5)18-19-14-10-8-11-15-19/h6,8-17,21-23,27H,1,7,18H2,2-5H3/t21-,22+,23+/m0/s1