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

Systemtic Name: ethyl (1S,2S)-2-[[3-phenylpropyl(pyridin-3-ylcarbonyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[3-phenylpropyl(pyridine-3-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[oxo(3-pyridinyl)methyl]-(3-phenylpropyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[3-phenylpropyl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[nicotinoyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-27-22(26)20-14-19(20)16-24(21(25)18-11-6-12-23-15-18)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,15,19-20H,2,7,10,13-14,16H2,1H3/t19-,20+/m1/s1