methyl (2S,3R,4S)-3-isocyano-2,4-bis(phenylmethoxy)pentanoate

Systemtic Name: methyl (2S,3R,4S)-3-isocyano-2,4-bis(phenylmethoxy)pentanoate Openeye Name: methyl (2S,3R,4S)-2,4-dibenzyloxy-3-isocyano-pentanoate CAS Name: (2S,3R,4S)-3-isocyano-2,4-bis(phenylmethoxy)pentanoic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-3-isocyano-2,4-bis(phenylmethoxy)pentanoate Traditional Name: (2S,3R,4S)-2,4-dibenzoxy-3-isocyano-valeric acid methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)OC)OCC1=CC=CC=C1)[N+]#[C-])OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H]([C@@H](C(=O)OC)OCC1=CC=CC=C1)[N+]#[C-])OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4/c1-16(25-14-17-10-6-4-7-11-17)19(22-2)20(21(23)24-3)26-15-18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1,3H3/t16-,19+,20-/m0/s1