methyl (2S)-1-[(2S)-2-isocyano-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-isocyano-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-isocyano-2-phenyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-isocyano-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-isocyano-2-phenylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-isocyano-2-phenyl-acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(C2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)[C@H](C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C15H16N2O3/c1-16-13(11-7-4-3-5-8-11)14(18)17-10-6-9-12(17)15(19)20-2/h3-5,7-8,12-13H,6,9-10H2,2H3/t12-,13-/m0/s1