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

Systemtic Name: ethyl (1S,2S)-2-[[1-benzofuran-2-ylcarbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[benzofuran-2-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2-benzofuranyl(oxo)methyl]-(3-phenylpropyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1-benzofuran-2-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[benzofuran-2-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H27NO4/c1-2-29-25(28)21-15-20(21)17-26(14-8-11-18-9-4-3-5-10-18)24(27)23-16-19-12-6-7-13-22(19)30-23/h3-7,9-10,12-13,16,20-21H,2,8,11,14-15,17H2,1H3/t20-,21+/m1/s1