tert-butyl (2Z)-2-[[(2S,4R,5S)-5-azanyl-2-phenyl-1,3-dioxan-4-yl]methylidene]octanoate

Systemtic Name: tert-butyl (2Z)-2-[[(2S,4R,5S)-5-azanyl-2-phenyl-1,3-dioxan-4-yl]methylidene]octanoate Openeye Name: tert-butyl (2Z)-2-[[(2S,4R,5S)-5-amino-2-phenyl-1,3-dioxan-4-yl]methylene]octanoate CAS Name: (2Z)-2-[[(2S,4R,5S)-5-amino-2-phenyl-1,3-dioxan-4-yl]methylidene]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[[(2S,4R,5S)-5-amino-2-phenyl-1,3-dioxan-4-yl]methylidene]octanoate Traditional Name: (Z)-3-[(2S,4R,5S)-5-amino-2-phenyl-1,3-dioxan-4-yl]-2-hexyl-acrylic acid tert-butyl ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1C(COC(O1)C2=CC=CC=C2)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC/C(=C/[C@@H]1[C@H](CO[C@@H](O1)C2=CC=CC=C2)N)/C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35NO4/c1-5-6-7-9-14-18(21(25)28-23(2,3)4)15-20-19(24)16-26-22(27-20)17-12-10-8-11-13-17/h8,10-13,15,19-20,22H,5-7,9,14,16,24H2,1-4H3/b18-15-/t19-,20+,22-/m0/s1