methyl (1S,2R)-2-[(S)-phenyl-(pyrazin-2-ylcarbonylamino)methyl]cyclopropane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[(S)-phenyl-(pyrazin-2-ylcarbonylamino)methyl]cyclopropane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[(S)-phenyl-(pyrazine-2-carbonylamino)methyl]cyclopropanecarboxylate CAS Name: (1S,2R)-2-[(S)-[[oxo(2-pyrazinyl)methyl]amino]-phenylmethyl]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[(S)-phenyl-(pyrazine-2-carbonylamino)methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-[(S)-phenyl-(pyrazinoylamino)methyl]cyclopropanecarboxylic acid methyl ester Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC1C(C2=CC=CC=C2)NC(=O)C3=NC=CN=C3

Isomeric SMILES

COC(=O)[C@H]1C[C@H]1[C@@H](C2=CC=CC=C2)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H17N3O3/c1-23-17(22)13-9-12(13)15(11-5-3-2-4-6-11)20-16(21)14-10-18-7-8-19-14/h2-8,10,12-13,15H,9H2,1H3,(H,20,21)/t12-,13+,15-/m1/s1