ethyl (1S,2S)-2-[[2,3-dihydro-1-benzofuran-7-ylcarbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[2,3-dihydro-1-benzofuran-7-ylcarbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[2,3-dihydrobenzofuran-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2,3-dihydrobenzofuran-7-yl(oxo)methyl]-(3-phenylpropyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[2,3-dihydro-1-benzofuran-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[coumaran-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CCO4

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CCO4

InChI

InChI=1S/C25H29NO4/c1-2-29-25(28)22-16-20(22)17-26(14-7-10-18-8-4-3-5-9-18)24(27)21-12-6-11-19-13-15-30-23(19)21/h3-6,8-9,11-12,20,22H,2,7,10,13-17H2,1H3/t20-,22+/m1/s1