ethyl (1S,2S)-2-[[pyridin-3-ylcarbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[pyridin-3-ylcarbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[pyridine-3-carbonyl(3-pyridylmethyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[oxo(3-pyridinyl)methyl]-(3-pyridinylmethyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[pyridine-3-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[nicotinoyl(3-pyridylmethyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=CN=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=CN=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O3/c1-2-25-19(24)17-9-16(17)13-22(12-14-5-3-7-20-10-14)18(23)15-6-4-8-21-11-15/h3-8,10-11,16-17H,2,9,12-13H2,1H3/t16-,17+/m1/s1