methyl (1S,2S)-2-(2-cyanoethyl)-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2S)-2-(2-cyanoethyl)-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate Openeye Name: methyl (1S,2S)-1-(benzyloxycarbonylamino)-2-(2-cyanoethyl)cyclopropanecarboxylate CAS Name: (1S,2S)-2-(2-cyanoethyl)-1-(phenylmethoxycarbonylamino)-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-(2-cyanoethyl)-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-1-(benzyloxycarbonylamino)-2-(2-cyanoethyl)cyclopropanecarboxylic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1CCC#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@]1(C[C@@H]1CCC#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4/c1-21-14(19)16(10-13(16)8-5-9-17)18-15(20)22-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8,10-11H2,1H3,(H,18,20)/t13-,16-/m0/s1