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

Systemtic Name: ethyl (1S,2S)-2-[[phenethyl(3-pyridin-3-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[phenethyl-[3-(3-pyridyl)propanoyl]amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[1-oxo-3-(3-pyridinyl)propyl]-phenethylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[phenethyl(3-pyridin-3-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[phenethyl-[3-(3-pyridyl)propanoyl]amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCC2=CC=CC=C2)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCC2=CC=CC=C2)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-2-28-23(27)21-15-20(21)17-25(14-12-18-7-4-3-5-8-18)22(26)11-10-19-9-6-13-24-16-19/h3-9,13,16,20-21H,2,10-12,14-15,17H2,1H3/t20-,21+/m1/s1