ethyl (1S,2S)-2-[[butyl(quinoxalin-6-ylcarbonyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[butyl(quinoxalin-6-ylcarbonyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[butyl(quinoxaline-6-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[butyl-[oxo(6-quinoxalinyl)methyl]amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[butyl(quinoxaline-6-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[butyl(quinoxaline-6-carbonyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CC1C(=O)OCC)C(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CCCCN(C[C@H]1C[C@@H]1C(=O)OCC)C(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C20H25N3O3/c1-3-5-10-23(13-15-11-16(15)20(25)26-4-2)19(24)14-6-7-17-18(12-14)22-9-8-21-17/h6-9,12,15-16H,3-5,10-11,13H2,1-2H3/t15-,16+/m1/s1