methyl (2S)-2-isocyanato-3-phenylmethoxy-propanoate

Systemtic Name: methyl (2S)-2-isocyanato-3-phenylmethoxy-propanoate Openeye Name: methyl (2S)-3-benzyloxy-2-isocyanato-propanoate CAS Name: (2S)-2-isocyanato-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-isocyanato-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-isocyanato-propionic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COCC1=CC=CC=C1)N=C=O

Isomeric SMILES

COC(=O)[C@H](COCC1=CC=CC=C1)N=C=O

InChI

InChI=1S/C12H13NO4/c1-16-12(15)11(13-9-14)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1